(3,3-difluorocyclohexyl)methanamine;hydrochloride

C7H14ClF2N — CID 86277083

IUPAC(3,3-difluorocyclohexyl)methanamine;hydrochloride
SMILESCl.NCC1CCCC(F)(F)C1
InChIInChI=1S/C7H13F2N.ClH/c8-7(9)3-1-2-6(4-7)5-10;/h6H,1-5,10H2;1H
InChIKeyVGYFFOOFGJJVQQ-UHFFFAOYSA-N
MW185.64 g/mol
LogP2.19
Rot. Bonds1

About (3,3-difluorocyclohexyl)methanamine;hydrochloride

(3,3-difluorocyclohexyl)methanamine;hydrochloride (PubChem CID 86277083) has the molecular formula C7H14ClF2N and a molecular weight of 185.64 g/mol. Its IUPAC name is (3,3-difluorocyclohexyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3,3-difluorocyclohexyl)methanamine;hydrochloride
PubChem CID86277083
Molecular FormulaC7H14ClF2N
Molecular Weight185.64 g/mol
Exact Mass185.08
IUPAC Name(3,3-difluorocyclohexyl)methanamine;hydrochloride
SMILESCl.NCC1CCCC(F)(F)C1
InChIInChI=1S/C7H13F2N.ClH/c8-7(9)3-1-2-6(4-7)5-10;/h6H,1-5,10H2;1H
InChIKeyVGYFFOOFGJJVQQ-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

Analyze (3,3-difluorocyclohexyl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclohexyl)methanamine;hydrochloride?
The IUPAC name of (3,3-difluorocyclohexyl)methanamine;hydrochloride (CID 86277083) is (3,3-difluorocyclohexyl)methanamine;hydrochloride.
What is the SMILES notation for (3,3-difluorocyclohexyl)methanamine;hydrochloride?
The canonical SMILES for (3,3-difluorocyclohexyl)methanamine;hydrochloride is Cl.NCC1CCCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclohexyl)methanamine;hydrochloride?
The InChIKey is VGYFFOOFGJJVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.ClH/c8-7(9)3-1-2-6(4-7)5-10;/h6H,1-5,10H2;1H.
What are the key properties of (3,3-difluorocyclohexyl)methanamine;hydrochloride?
(3,3-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 (3,3-difluorocyclohexyl)methanamine;hydrochloride is sourced from PubChem (CID 86277083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).