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Cinacalcet USP RC E

CAT: 1596-AR-C02858-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
78573-45-2
Synonyms
3-[3- (trifluoromethyl) phenyl]propan-1-ol
Molecular Formula
C10H11F3O
Molecular Weight
204.19
API Name
Cinacalcet

Chemical Information

Benzenepropanol, 3-(trifluoromethyl)-

3-[3-(trifluoromethyl)phenyl]propan-1-ol is an organofluorine compound that is 3-phenylpropan-1-ol bearing a trifluoromethyl group at position 3 on the phenyl ring. It is a member of propan-1-ols and an organofluorine compound.

CAS Number78573-45-2
PubChem CID18755618
IUPAC Name3-[3-(trifluoromethyl)phenyl]propan-1-ol
Molecular FormulaC10H11F3O
Molecular Weight204.19
XLogP2.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity167
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CCCO
InChI
InChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2
InChIKey
QWXKQVIMGVVIBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenepropanol, 3-(trifluoromethyl)-
CAS: 78573-45-2
CID: 18755618
Formula: C10H11F3O
MW: 204.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.19
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass204.07619946
Monoisotopic Mass204.07619946
Topological Polar Surface Area20.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-B06190-01Bendamustine USP Related Compound E-d4
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T8403-01Cinacalcet
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