(1R)-3-(difluoromethylidene)cyclohexan-1-amine

C7H11F2N — CID 171829529

IUPAC(1R)-3-(difluoromethylidene)cyclohexan-1-amine
SMILESN[C@@H]1CCCC(=C(F)F)C1
InChIInChI=1S/C7H11F2N/c8-7(9)5-2-1-3-6(10)4-5/h6H,1-4,10H2/t6-/m1/s1
InChIKeyVVPACYKPGFAZAH-ZCFIWIBFSA-N
MW147.17 g/mol
LogP2.04
Rot. Bonds

About (1R)-3-(difluoromethylidene)cyclohexan-1-amine

(1R)-3-(difluoromethylidene)cyclohexan-1-amine (PubChem CID 171829529) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is (1R)-3-(difluoromethylidene)cyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-3-(difluoromethylidene)cyclohexan-1-amine
PubChem CID171829529
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(1R)-3-(difluoromethylidene)cyclohexan-1-amine
SMILESN[C@@H]1CCCC(=C(F)F)C1
InChIInChI=1S/C7H11F2N/c8-7(9)5-2-1-3-6(10)4-5/h6H,1-4,10H2/t6-/m1/s1
InChIKeyVVPACYKPGFAZAH-ZCFIWIBFSA-N
XLogP2.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-(difluoromethylidene)cyclohexan-1-amine?
The IUPAC name of (1R)-3-(difluoromethylidene)cyclohexan-1-amine (CID 171829529) is (1R)-3-(difluoromethylidene)cyclohexan-1-amine.
What is the SMILES notation for (1R)-3-(difluoromethylidene)cyclohexan-1-amine?
The canonical SMILES for (1R)-3-(difluoromethylidene)cyclohexan-1-amine is N[C@@H]1CCCC(=C(F)F)C1.
What is the InChIKey of (1R)-3-(difluoromethylidene)cyclohexan-1-amine?
The InChIKey is VVPACYKPGFAZAH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11F2N/c8-7(9)5-2-1-3-6(10)4-5/h6H,1-4,10H2/t6-/m1/s1.
What are the key properties of (1R)-3-(difluoromethylidene)cyclohexan-1-amine?
(1R)-3-(difluoromethylidene)cyclohexan-1-amine has a molecular weight of 147.17 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(difluoromethylidene)cyclohexan-1-amine is sourced from PubChem (CID 171829529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).