1-Aminomethyl-3,3-difluoro-cyclohexanol

Name: 1-Aminomethyl-3,3-difluoro-cyclohexanol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₁₃F₂NO — CID 118555961

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(aminomethyl)-3,3-difluorocyclohexan-1-ol

SMILESNCC1(O)CCCC(F)(F)C1

InChIInChI=1S/C7H13F2NO/c8-7(9)3-1-2-6(11,4-7)5-10/h11H,1-5,10H2

InChIKeyJIFPGOVWBADNSG-UHFFFAOYSA-N

MW165.18 g/mol

LogP0.89

Rot. Bonds1

About 1-Aminomethyl-3,3-difluoro-cyclohexanol

1-Aminomethyl-3,3-difluoro-cyclohexanol (PubChem CID 118555961) has the molecular formula C₇H₁₃F₂NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 1-(aminomethyl)-3,3-difluorocyclohexan-1-ol.

Molecular Properties

Compound Name	1-Aminomethyl-3,3-difluoro-cyclohexanol
PubChem CID	118555961
Molecular Formula	C₇H₁₃F₂NO
Molecular Weight	165.18 g/mol
Exact Mass	165.10
IUPAC Name	1-(aminomethyl)-3,3-difluorocyclohexan-1-ol
SMILES	NCC1(O)CCCC(F)(F)C1
InChI	InChI=1S/C7H13F2NO/c8-7(9)3-1-2-6(11,4-7)5-10/h11H,1-5,10H2
InChIKey	JIFPGOVWBADNSG-UHFFFAOYSA-N
XLogP	0.89
TPSA	46.25 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.18
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-Aminomethyl-3,3-difluoro-cyclohexanol?

The IUPAC name of 1-Aminomethyl-3,3-difluoro-cyclohexanol (CID 118555961) is 1-(aminomethyl)-3,3-difluorocyclohexan-1-ol.

What is the SMILES notation for 1-Aminomethyl-3,3-difluoro-cyclohexanol?

The canonical SMILES for 1-Aminomethyl-3,3-difluoro-cyclohexanol is NCC1(O)CCCC(F)(F)C1.

What is the InChIKey of 1-Aminomethyl-3,3-difluoro-cyclohexanol?

The InChIKey is JIFPGOVWBADNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)3-1-2-6(11,4-7)5-10/h11H,1-5,10H2.

What are the key properties of 1-Aminomethyl-3,3-difluoro-cyclohexanol?

1-Aminomethyl-3,3-difluoro-cyclohexanol has a molecular weight of 165.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-Aminomethyl-3,3-difluoro-cyclohexanol is sourced from PubChem (CID 118555961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 118555961 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.