3-(difluoromethyl)cyclohexan-1-amine

C7H13F2N — CID 84716388

IUPAC3-(difluoromethyl)cyclohexan-1-amine
SMILESNC1CCCC(C(F)F)C1
InChIInChI=1S/C7H13F2N/c8-7(9)5-2-1-3-6(10)4-5/h5-7H,1-4,10H2
InChIKeyVYZHFSHPTHUYEX-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.77
Rot. Bonds1

About 3-(difluoromethyl)cyclohexan-1-amine

3-(difluoromethyl)cyclohexan-1-amine (PubChem CID 84716388) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 3-(difluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(difluoromethyl)cyclohexan-1-amine
PubChem CID84716388
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name3-(difluoromethyl)cyclohexan-1-amine
SMILESNC1CCCC(C(F)F)C1
InChIInChI=1S/C7H13F2N/c8-7(9)5-2-1-3-6(10)4-5/h5-7H,1-4,10H2
InChIKeyVYZHFSHPTHUYEX-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)cyclohexan-1-amine?
The IUPAC name of 3-(difluoromethyl)cyclohexan-1-amine (CID 84716388) is 3-(difluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(difluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 3-(difluoromethyl)cyclohexan-1-amine is NC1CCCC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)cyclohexan-1-amine?
The InChIKey is VYZHFSHPTHUYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c8-7(9)5-2-1-3-6(10)4-5/h5-7H,1-4,10H2.
What are the key properties of 3-(difluoromethyl)cyclohexan-1-amine?
3-(difluoromethyl)cyclohexan-1-amine has a molecular weight of 149.18 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 84716388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).