3-cyclohexyl-3-fluoropropanoic acid

C9H15FO2 — CID 105435814

IUPAC3-cyclohexyl-3-fluoropropanoic acid
SMILESO=C(O)CC(F)C1CCCCC1
InChIInChI=1S/C9H15FO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)
InChIKeyHXRQMMMGDCIQLI-UHFFFAOYSA-N
MW174.21 g/mol
LogP2.38
Rot. Bonds3

About 3-cyclohexyl-3-fluoropropanoic acid

3-cyclohexyl-3-fluoropropanoic acid (PubChem CID 105435814) has the molecular formula C9H15FO2 and a molecular weight of 174.21 g/mol. Its IUPAC name is 3-cyclohexyl-3-fluoropropanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-3-fluoropropanoic acid
PubChem CID105435814
Molecular FormulaC9H15FO2
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Name3-cyclohexyl-3-fluoropropanoic acid
SMILESO=C(O)CC(F)C1CCCCC1
InChIInChI=1S/C9H15FO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)
InChIKeyHXRQMMMGDCIQLI-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclohexyl-4-fluorobutan-2-one
CID 105435232
3-cyclohexyl-4,4,4-trifluorobutanoic acid
CID 63155372
3-fluoro-3-(1-methylpiperidin-4-yl)propanoic acid
CID 83856314
3-chloro-3-cyclopentylpropanoic acid
CID 67392079
(3R)-4-amino-3-cyclohexylbutanoic acid
CID 8000611
lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride
CID 174434398
4-amino-3-cyclopentylbutanoic acid
CID 10130168
3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid
CID 81385050
1-fluoropropylcyclohexane
CID 175482470
3-cyclobutylbutanoic acid
CID 82594402
(3S)-3-cyclobutylbutanoic acid
CID 96733267
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-fluoropropanoic acid?
The IUPAC name of 3-cyclohexyl-3-fluoropropanoic acid (CID 105435814) is 3-cyclohexyl-3-fluoropropanoic acid.
What is the SMILES notation for 3-cyclohexyl-3-fluoropropanoic acid?
The canonical SMILES for 3-cyclohexyl-3-fluoropropanoic acid is O=C(O)CC(F)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-fluoropropanoic acid?
The InChIKey is HXRQMMMGDCIQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12).
What are the key properties of 3-cyclohexyl-3-fluoropropanoic acid?
3-cyclohexyl-3-fluoropropanoic acid has a molecular weight of 174.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-fluoropropanoic acid is sourced from PubChem (CID 105435814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).