4-fluoro-2-propan-2-ylbenzoic acid

C10H11FO2 — CID 22101476

IUPAC4-fluoro-2-propan-2-ylbenzoic acid
SMILESCC(C)c1cc(F)ccc1C(=O)O
InChIInChI=1S/C10H11FO2/c1-6(2)9-5-7(11)3-4-8(9)10(12)13/h3-6H,1-2H3,(H,12,13)
InChIKeyDWWDNPIWPBIMOA-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.65
Rot. Bonds2

About 4-fluoro-2-propan-2-ylbenzoic acid

4-fluoro-2-propan-2-ylbenzoic acid (PubChem CID 22101476) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 4-fluoro-2-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name4-fluoro-2-propan-2-ylbenzoic acid
PubChem CID22101476
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name4-fluoro-2-propan-2-ylbenzoic acid
SMILESCC(C)c1cc(F)ccc1C(=O)O
InChIInChI=1S/C10H11FO2/c1-6(2)9-5-7(11)3-4-8(9)10(12)13/h3-6H,1-2H3,(H,12,13)
InChIKeyDWWDNPIWPBIMOA-UHFFFAOYSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(dimethylamino)ethyl]-4-fluorobenzoic acid;hydrochloride
CID 70615173
2-(1,2-dihydroxy-3-methoxy-3-oxopropyl)-4-fluorobenzoic acid
CID 171864337
2-(3-chloro-1,2-dihydroxypropyl)-4-fluorobenzoic acid
CID 171862314
4-cyano-2-(4-fluoro-2-propan-2-ylanilino)benzoic acid
CID 155452568
2-acetyl-5-fluorobenzoic acid
CID 117279010
2-ethyl-4-fluorobenzoic acid
CID 22101376
5-fluoro-N-methyl-2-propan-2-ylbenzamide
CID 154975628
4-fluoro-2-(2-methylsulfanylphenyl)benzoic acid
CID 53226362
2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid
CID 90905151
4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid
CID 155925871
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
2-[[(2R)-2-aminopropanoyl]amino]-4-fluorobenzoic acid
CID 78973510

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-propan-2-ylbenzoic acid?
The IUPAC name of 4-fluoro-2-propan-2-ylbenzoic acid (CID 22101476) is 4-fluoro-2-propan-2-ylbenzoic acid.
What is the SMILES notation for 4-fluoro-2-propan-2-ylbenzoic acid?
The canonical SMILES for 4-fluoro-2-propan-2-ylbenzoic acid is CC(C)c1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-propan-2-ylbenzoic acid?
The InChIKey is DWWDNPIWPBIMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-6(2)9-5-7(11)3-4-8(9)10(12)13/h3-6H,1-2H3,(H,12,13).
What are the key properties of 4-fluoro-2-propan-2-ylbenzoic acid?
4-fluoro-2-propan-2-ylbenzoic acid has a molecular weight of 182.19 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-propan-2-ylbenzoic acid is sourced from PubChem (CID 22101476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).