2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid

C11H14F4O4 — CID 71012816

IUPAC2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)OC(CF)C(F)(F)F
InChIInChI=1S/C11H14F4O4/c12-5-8(11(13,14)15)19-10(18)7-4-2-1-3-6(7)9(16)17/h6-8H,1-5H2,(H,16,17)
InChIKeyIECAHSVZAWMXEL-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.32
Rot. Bonds4

About 2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid

2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid (PubChem CID 71012816) has the molecular formula C11H14F4O4 and a molecular weight of 286.22 g/mol. Its IUPAC name is 2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
PubChem CID71012816
Molecular FormulaC11H14F4O4
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)OC(CF)C(F)(F)F
InChIInChI=1S/C11H14F4O4/c12-5-8(11(13,14)15)19-10(18)7-4-2-1-3-6(7)9(16)17/h6-8H,1-5H2,(H,16,17)
InChIKeyIECAHSVZAWMXEL-UHFFFAOYSA-N
XLogP2.32
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
2-sulfanyloxycarbonylcyclohexane-1-carboxylic acid
CID 150374950
cis-(1S,2S)-2-(fluoromethyl)cyclohexane-1-carboxylic acid
CID 96581669
2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid
CID 126683048
2-[2-(1-ethylcyclopentyl)oxycarbonylcyclohexanecarbonyl]oxy-3,3,3-trifluoropropane-1-sulfonic acid
CID 129061814
2-[1-(2-carboxycyclohexanecarbonyl)oxy-2-(2,2-dimethylbutanoyloxy)ethoxy]carbonylcyclohexane-1-carboxylic acid
CID 59815567
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
2-(trifluoromethoxy)cyclohexane-1-carboxylic acid
CID 137347109
2-(2,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid
CID 175486493
2-heptadecan-5-yloxycarbonylcyclohexane-1-carboxylic acid
CID 69473831
2-(2,15-dimethylhexadecan-6-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262945
2-[1,1,1,3,3,3-hexafluoro-2-(sulfomethyl)propan-2-yl]oxycarbonylcyclohexane-1-carboxylic acid
CID 59445698

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid (CID 71012816) is 2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)OC(CF)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is IECAHSVZAWMXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4O4/c12-5-8(11(13,14)15)19-10(18)7-4-2-1-3-6(7)9(16)17/h6-8H,1-5H2,(H,16,17).
What are the key properties of 2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 286.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 71012816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).