2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid

C12H11F3O2 — CID 82085380

IUPAC2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C12H11F3O2/c13-12(14,15)9-3-1-2-8(6-9)10(11(16)17)7-4-5-7/h1-3,6-7,10H,4-5H2,(H,16,17)
InChIKeyUKWGSYCAMYKQBP-UHFFFAOYSA-N
MW244.21 g/mol
LogP3.28
Rot. Bonds3

About 2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid

2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid (PubChem CID 82085380) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
PubChem CID82085380
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C12H11F3O2/c13-12(14,15)9-3-1-2-8(6-9)10(11(16)17)7-4-5-7/h1-3,6-7,10H,4-5H2,(H,16,17)
InChIKeyUKWGSYCAMYKQBP-UHFFFAOYSA-N
XLogP3.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
CID 175668568
4-propan-2-ylcyclohexan-1-one;2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 123669891
2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 60997313
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
CID 70513343
4-hydroxy-2,3-dimethyl-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 79414458
2-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 134951743
[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
3-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243219
(2S)-2-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octane
CID 141223568

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid (CID 82085380) is 2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid is O=C(O)C(c1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is UKWGSYCAMYKQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c13-12(14,15)9-3-1-2-8(6-9)10(11(16)17)7-4-5-7/h1-3,6-7,10H,4-5H2,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid?
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 244.21 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 82085380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).