2-[3-(difluoromethoxy)cyclohexyl]acetic acid

C9H14F2O3 — CID 84722601

IUPAC2-[3-(difluoromethoxy)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCCC(OC(F)F)C1
InChIInChI=1S/C9H14F2O3/c10-9(11)14-7-3-1-2-6(4-7)5-8(12)13/h6-7,9H,1-5H2,(H,12,13)
InChIKeyVPICAOWCZXECOB-UHFFFAOYSA-N
MW208.20 g/mol
LogP2.26
Rot. Bonds4

About 2-[3-(difluoromethoxy)cyclohexyl]acetic acid

2-[3-(difluoromethoxy)cyclohexyl]acetic acid (PubChem CID 84722601) has the molecular formula C9H14F2O3 and a molecular weight of 208.20 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)cyclohexyl]acetic acid
PubChem CID84722601
Molecular FormulaC9H14F2O3
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Name2-[3-(difluoromethoxy)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCCC(OC(F)F)C1
InChIInChI=1S/C9H14F2O3/c10-9(11)14-7-3-1-2-6(4-7)5-8(12)13/h6-7,9H,1-5H2,(H,12,13)
InChIKeyVPICAOWCZXECOB-UHFFFAOYSA-N
XLogP2.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(difluoromethoxy)cyclohexyl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(difluoromethoxy)cyclopentyl]acetic acid
CID 84720257
1-(bromomethyl)-3-(difluoromethoxy)cyclohexane
CID 170898300
2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid
CID 134457154
cis-(1R,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707198
trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707197
2-[3-(methoxymethoxy)cyclodecyl]acetic acid
CID 134457636
2-[3-(2-aminoethyl)cyclohexyl]acetic acid
CID 68626637
2-[(1R,3R)-3-tert-butylcyclohexyl]acetic acid
CID 57180038
2-[(1S,3R)-3-fluorocyclopentyl]acetic acid
CID 105428900
2-[(1R,3R)-3-fluorocyclopentyl]acetic acid
CID 135389382
1-(difluoromethoxy)-3-propan-2-ylcyclohexane
CID 89268297
azane;2-cyclohexylacetic acid;iron
CID 67746719

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)cyclohexyl]acetic acid?
The IUPAC name of 2-[3-(difluoromethoxy)cyclohexyl]acetic acid (CID 84722601) is 2-[3-(difluoromethoxy)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[3-(difluoromethoxy)cyclohexyl]acetic acid?
The canonical SMILES for 2-[3-(difluoromethoxy)cyclohexyl]acetic acid is O=C(O)CC1CCCC(OC(F)F)C1.
What is the InChIKey of 2-[3-(difluoromethoxy)cyclohexyl]acetic acid?
The InChIKey is VPICAOWCZXECOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O3/c10-9(11)14-7-3-1-2-6(4-7)5-8(12)13/h6-7,9H,1-5H2,(H,12,13).
What are the key properties of 2-[3-(difluoromethoxy)cyclohexyl]acetic acid?
2-[3-(difluoromethoxy)cyclohexyl]acetic acid has a molecular weight of 208.20 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)cyclohexyl]acetic acid is sourced from PubChem (CID 84722601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).