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Penfluridol

CAT: 1596-AR-P30608-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P30608-06Size:250 Units
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CAS Number
26864-56-2
Molecular Formula
C28H27ClF5NO
Molecular Weight
523.97
API Name
Penfluridol

Chemical Information

Penfluridol

1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol is a diarylmethane.

CAS Number26864-56-2
PubChem CID33630
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
Molecular FormulaC28H27ClF5NO
Molecular Weight524.0
XLogP7.3
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity647
SMILES
C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
InChIKey
MDLAAYDRRZXJIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Penfluridol
CAS: 26864-56-2
CID: 33630
Formula: C28H27ClF5NO
MW: 524.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.0
XLogP37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass523.1701330
Monoisotopic Mass523.1701330
Topological Polar Surface Area23.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity647
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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