3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid

C10H17FO2 — CID 105443208

IUPAC3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(C)(F)C1CCC1
InChIInChI=1S/C10H17FO2/c1-9(2,8(12)13)10(3,11)7-5-4-6-7/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyJMEIVDMNFRCEKW-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.63
Rot. Bonds3

About 3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid

3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid (PubChem CID 105443208) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid
PubChem CID105443208
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid
SMILESCC(C)(C(=O)O)C(C)(F)C1CCC1
InChIInChI=1S/C10H17FO2/c1-9(2,8(12)13)10(3,11)7-5-4-6-7/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyJMEIVDMNFRCEKW-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid
CID 105442128
3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid
CID 105452917
2-amino-2-cyclopentyl-3-fluoro-3-methylbutanoic acid
CID 105455425
2-(3-fluorocyclohexyl)-2-methylpropanoic acid
CID 84732891
3-amino-2-cyclobutyl-2-methylpropanoic acid
CID 106487162
3,3-dicyclohexyl-2,2-dimethyl-4-methylidenepentanedioic acid
CID 54561732
(1,1-difluoro-2,2-dimethylpropyl)cyclobutane
CID 176747969
2-amino-2-cyclohexyl-2-fluoroacetic acid
CID 176668442
2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid
CID 84736757
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
2-cyclobutyl-1,1,1-trifluoropropan-2-ol
CID 130685158
2-cyclopentyl-5,5,5-trifluoro-2-methoxycarbonylpentanoic acid
CID 103974632

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid?
The IUPAC name of 3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid (CID 105443208) is 3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid.
What is the SMILES notation for 3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid?
The canonical SMILES for 3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid is CC(C)(C(=O)O)C(C)(F)C1CCC1.
What is the InChIKey of 3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid?
The InChIKey is JMEIVDMNFRCEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-9(2,8(12)13)10(3,11)7-5-4-6-7/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid?
3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid has a molecular weight of 188.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-3-fluoro-2,2-dimethylbutanoic acid is sourced from PubChem (CID 105443208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).