2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine

C10H19F2NO — CID 84722403

IUPAC2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine
SMILESNCCC1CCCC(COC(F)F)C1
InChIInChI=1S/C10H19F2NO/c11-10(12)14-7-9-3-1-2-8(6-9)4-5-13/h8-10H,1-7,13H2
InChIKeyPGHNEBLIIIYTAI-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.38
Rot. Bonds5

About 2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine

2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine (PubChem CID 84722403) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine
PubChem CID84722403
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine
SMILESNCCC1CCCC(COC(F)F)C1
InChIInChI=1S/C10H19F2NO/c11-10(12)14-7-9-3-1-2-8(6-9)4-5-13/h8-10H,1-7,13H2
InChIKeyPGHNEBLIIIYTAI-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-2-(4,4-difluorocyclohexyl)propan-1-ol
CID 165788560
1-[(1R,5S,7r)-9,9-difluoro-3-oxabicyclo[3.3.1]nonan-7-yl]methanamine hydrochloride
CID 177801712
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490290
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61491363
4-Propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61748327
4-Propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61748328
4-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61751074
4-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61751075
4-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61751248

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine (CID 84722403) is 2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine is NCCC1CCCC(COC(F)F)C1.
What is the InChIKey of 2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine?
The InChIKey is PGHNEBLIIIYTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c11-10(12)14-7-9-3-1-2-8(6-9)4-5-13/h8-10H,1-7,13H2.
What are the key properties of 2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine?
2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine has a molecular weight of 207.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxymethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 84722403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).