[3-(difluoromethyl)cyclohexyl]methanamine

C8H15F2N — CID 84716910

IUPAC[3-(difluoromethyl)cyclohexyl]methanamine
SMILESNCC1CCCC(C(F)F)C1
InChIInChI=1S/C8H15F2N/c9-8(10)7-3-1-2-6(4-7)5-11/h6-8H,1-5,11H2
InChIKeyZJZQNDBXGPLJLK-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.02
Rot. Bonds2

About [3-(difluoromethyl)cyclohexyl]methanamine

[3-(difluoromethyl)cyclohexyl]methanamine (PubChem CID 84716910) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is [3-(difluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethyl)cyclohexyl]methanamine
PubChem CID84716910
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name[3-(difluoromethyl)cyclohexyl]methanamine
SMILESNCC1CCCC(C(F)F)C1
InChIInChI=1S/C8H15F2N/c9-8(10)7-3-1-2-6(4-7)5-11/h6-8H,1-5,11H2
InChIKeyZJZQNDBXGPLJLK-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [3-(difluoromethyl)cyclohexyl]methanamine (CID 84716910) is [3-(difluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [3-(difluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [3-(difluoromethyl)cyclohexyl]methanamine is NCC1CCCC(C(F)F)C1.
What is the InChIKey of [3-(difluoromethyl)cyclohexyl]methanamine?
The InChIKey is ZJZQNDBXGPLJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c9-8(10)7-3-1-2-6(4-7)5-11/h6-8H,1-5,11H2.
What are the key properties of [3-(difluoromethyl)cyclohexyl]methanamine?
[3-(difluoromethyl)cyclohexyl]methanamine has a molecular weight of 163.21 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 84716910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).