(2,2-difluorocyclohexyl)methanamine;hydrochloride

C7H14ClF2N — CID 105441933

IUPAC(2,2-difluorocyclohexyl)methanamine;hydrochloride
SMILESCl.NCC1CCCCC1(F)F
InChIInChI=1S/C7H13F2N.ClH/c8-7(9)4-2-1-3-6(7)5-10;/h6H,1-5,10H2;1H
InChIKeyCKYLHKNEFAMPOL-UHFFFAOYSA-N
MW185.64 g/mol
LogP2.19
Rot. Bonds1

About (2,2-difluorocyclohexyl)methanamine;hydrochloride

(2,2-difluorocyclohexyl)methanamine;hydrochloride (PubChem CID 105441933) has the molecular formula C7H14ClF2N and a molecular weight of 185.64 g/mol. Its IUPAC name is (2,2-difluorocyclohexyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,2-difluorocyclohexyl)methanamine;hydrochloride
PubChem CID105441933
Molecular FormulaC7H14ClF2N
Molecular Weight185.64 g/mol
Exact Mass185.08
IUPAC Name(2,2-difluorocyclohexyl)methanamine;hydrochloride
SMILESCl.NCC1CCCCC1(F)F
InChIInChI=1S/C7H13F2N.ClH/c8-7(9)4-2-1-3-6(7)5-10;/h6H,1-5,10H2;1H
InChIKeyCKYLHKNEFAMPOL-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine
CID 84733655
1-(2,2-difluorocyclohexyl)-N-methylmethanamine;hydrochloride
CID 163321422
[(1S)-2,2-dimethylcyclohexyl]methanamine
CID 90019536
(2,2-dimethylcyclohexyl)methanamine
CID 22484483
3-(2,2-difluorocyclopentyl)propan-1-amine
CID 105432125
(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride
CID 155887959
2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane
CID 174754324
N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine
CID 127002696
ethyl 2-[(1S)-2,2-difluorocyclohexyl]acetate
CID 95170239
1-amino-3-(2,2-difluorocyclopentyl)propan-2-ol
CID 130908693
[(2R)-spiro[2.4]heptan-2-yl]methanamine
CID 94557824
2,2-difluorocyclohexan-1-amine;formic acid
CID 126843056

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclohexyl)methanamine;hydrochloride?
The IUPAC name of (2,2-difluorocyclohexyl)methanamine;hydrochloride (CID 105441933) is (2,2-difluorocyclohexyl)methanamine;hydrochloride.
What is the SMILES notation for (2,2-difluorocyclohexyl)methanamine;hydrochloride?
The canonical SMILES for (2,2-difluorocyclohexyl)methanamine;hydrochloride is Cl.NCC1CCCCC1(F)F.
What is the InChIKey of (2,2-difluorocyclohexyl)methanamine;hydrochloride?
The InChIKey is CKYLHKNEFAMPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.ClH/c8-7(9)4-2-1-3-6(7)5-10;/h6H,1-5,10H2;1H.
What are the key properties of (2,2-difluorocyclohexyl)methanamine;hydrochloride?
(2,2-difluorocyclohexyl)methanamine;hydrochloride has a molecular weight of 185.64 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclohexyl)methanamine;hydrochloride is sourced from PubChem (CID 105441933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).