[3-(difluoromethoxymethyl)cyclohexyl]methanamine

C9H17F2NO — CID 84720022

IUPAC[3-(difluoromethoxymethyl)cyclohexyl]methanamine
SMILESNCC1CCCC(COC(F)F)C1
InChIInChI=1S/C9H17F2NO/c10-9(11)13-6-8-3-1-2-7(4-8)5-12/h7-9H,1-6,12H2
InChIKeyWLCHFYONAYNCEP-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.99
Rot. Bonds4

About [3-(difluoromethoxymethyl)cyclohexyl]methanamine

[3-(difluoromethoxymethyl)cyclohexyl]methanamine (PubChem CID 84720022) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is [3-(difluoromethoxymethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethoxymethyl)cyclohexyl]methanamine
PubChem CID84720022
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name[3-(difluoromethoxymethyl)cyclohexyl]methanamine
SMILESNCC1CCCC(COC(F)F)C1
InChIInChI=1S/C9H17F2NO/c10-9(11)13-6-8-3-1-2-7(4-8)5-12/h7-9H,1-6,12H2
InChIKeyWLCHFYONAYNCEP-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,5S,7r)-9,9-difluoro-3-oxabicyclo[3.3.1]nonan-7-yl]methanamine hydrochloride
CID 177801712
4-(3,3-Difluoropropoxymethyl)cyclohexan-1-amine
CID 118523703
4-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 126566213
[4-(Trifluoromethoxy)cyclohexyl]methanamine
CID 137347145
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61491363
4-Propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61748328
4-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61751075
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61751249
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62505704
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
[1-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 62724691

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxymethyl)cyclohexyl]methanamine?
The IUPAC name of [3-(difluoromethoxymethyl)cyclohexyl]methanamine (CID 84720022) is [3-(difluoromethoxymethyl)cyclohexyl]methanamine.
What is the SMILES notation for [3-(difluoromethoxymethyl)cyclohexyl]methanamine?
The canonical SMILES for [3-(difluoromethoxymethyl)cyclohexyl]methanamine is NCC1CCCC(COC(F)F)C1.
What is the InChIKey of [3-(difluoromethoxymethyl)cyclohexyl]methanamine?
The InChIKey is WLCHFYONAYNCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)13-6-8-3-1-2-7(4-8)5-12/h7-9H,1-6,12H2.
What are the key properties of [3-(difluoromethoxymethyl)cyclohexyl]methanamine?
[3-(difluoromethoxymethyl)cyclohexyl]methanamine has a molecular weight of 193.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxymethyl)cyclohexyl]methanamine is sourced from PubChem (CID 84720022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).