(1S,3S,4R)-3,4-difluorocyclohexan-1-amine

C6H11F2N — CID 105427836

IUPAC(1S,3S,4R)-3,4-difluorocyclohexan-1-amine
SMILESN[C@H]1CC[C@@H](F)[C@@H](F)C1
InChIInChI=1S/C6H11F2N/c7-5-2-1-4(9)3-6(5)8/h4-6H,1-3,9H2/t4-,5+,6-/m0/s1
InChIKeyKCCXIAJUHYARIQ-JKUQZMGJSA-N
MW135.16 g/mol
LogP1.17
Rot. Bonds

About (1S,3S,4R)-3,4-difluorocyclohexan-1-amine

(1S,3S,4R)-3,4-difluorocyclohexan-1-amine (PubChem CID 105427836) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is (1S,3S,4R)-3,4-difluorocyclohexan-1-amine.

Molecular Properties

Compound Name(1S,3S,4R)-3,4-difluorocyclohexan-1-amine
PubChem CID105427836
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name(1S,3S,4R)-3,4-difluorocyclohexan-1-amine
SMILESN[C@H]1CC[C@@H](F)[C@@H](F)C1
InChIInChI=1S/C6H11F2N/c7-5-2-1-4(9)3-6(5)8/h4-6H,1-3,9H2/t4-,5+,6-/m0/s1
InChIKeyKCCXIAJUHYARIQ-JKUQZMGJSA-N
XLogP1.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,4R)-4-amino-2-fluorocyclohexan-1-ol;hydrochloride
CID 138629032
4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine
CID 70820162
2-fluorocyclopropan-1-amine
CID 10197614
(4R)-1,2-difluoro-4-methylcyclohexane
CID 89362565
(1R,2R,4R)-4-amino-2-fluorocyclopentan-1-ol
CID 55285503
trans-(1S,3S)-3-fluorocyclohexan-1-amine
CID 86333917
1,2-difluoro-4,5-dimethylcycloheptane
CID 143035426
cis-(1R,3S)-3-fluorocyclohexan-1-amine
CID 86333919
3-(3-aminocyclopentyl)cyclopentan-1-amine;methane
CID 160598150
3-(difluoromethyl)cyclopentan-1-amine
CID 84716159
cyclohexane-1,4-diamine;hydrochloride
CID 54599176
cis-(1R,3S)-3-iodocyclopentan-1-amine
CID 155263679

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4R)-3,4-difluorocyclohexan-1-amine?
The IUPAC name of (1S,3S,4R)-3,4-difluorocyclohexan-1-amine (CID 105427836) is (1S,3S,4R)-3,4-difluorocyclohexan-1-amine.
What is the SMILES notation for (1S,3S,4R)-3,4-difluorocyclohexan-1-amine?
The canonical SMILES for (1S,3S,4R)-3,4-difluorocyclohexan-1-amine is N[C@H]1CC[C@@H](F)[C@@H](F)C1.
What is the InChIKey of (1S,3S,4R)-3,4-difluorocyclohexan-1-amine?
The InChIKey is KCCXIAJUHYARIQ-JKUQZMGJSA-N. The full InChI is InChI=1S/C6H11F2N/c7-5-2-1-4(9)3-6(5)8/h4-6H,1-3,9H2/t4-,5+,6-/m0/s1.
What are the key properties of (1S,3S,4R)-3,4-difluorocyclohexan-1-amine?
(1S,3S,4R)-3,4-difluorocyclohexan-1-amine has a molecular weight of 135.16 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4R)-3,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 105427836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).