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4,4-Difluorocyclohexanamine Hydrochloride

CAT: 0024-sc-206942Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-206942Size:250 mg
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CAS Number
675112-70-6

Chemical Information

4,4-Difluorocyclohexan-1-amine hydrochloride
CAS Number675112-70-6
PubChem CID23150669
IUPAC Name4,4-difluorocyclohexan-1-amine;hydrochloride
Molecular FormulaC6H12ClF2N
Molecular Weight171.61
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity93
SMILES
C1CC(CCC1N)(F)F.Cl
InChI
InChI=1S/C6H11F2N.ClH/c7-6(8)3-1-5(9)2-4-6;/h5H,1-4,9H2;1H
InChIKey
QYJPFTAKVBDDPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4-Difluorocyclohexan-1-amine hydrochloride
CAS: 675112-70-6
CID: 23150669
Formula: C6H12ClF2N
MW: 171.61
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.61
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass171.0626334
Monoisotopic Mass171.0626334
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity93.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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