2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid

C12H10F4O2 — CID 175668568

IUPAC2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(c1cc(F)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C12H10F4O2/c13-9-4-7(3-8(5-9)12(14,15)16)10(11(17)18)6-1-2-6/h3-6,10H,1-2H2,(H,17,18)
InChIKeyKDKDHSAFYKDAJS-UHFFFAOYSA-N
MW262.20 g/mol
LogP3.42
Rot. Bonds3

About 2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid

2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid (PubChem CID 175668568) has the molecular formula C12H10F4O2 and a molecular weight of 262.20 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
PubChem CID175668568
Molecular FormulaC12H10F4O2
Molecular Weight262.20 g/mol
Exact Mass262.06
IUPAC Name2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(c1cc(F)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C12H10F4O2/c13-9-4-7(3-8(5-9)12(14,15)16)10(11(17)18)6-1-2-6/h3-6,10H,1-2H2,(H,17,18)
InChIKeyKDKDHSAFYKDAJS-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid (CID 175668568) is 2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid is O=C(O)C(c1cc(F)cc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is KDKDHSAFYKDAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4O2/c13-9-4-7(3-8(5-9)12(14,15)16)10(11(17)18)6-1-2-6/h3-6,10H,1-2H2,(H,17,18).
What are the key properties of 2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid?
2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 262.20 g/mol, XLogP of 3.42, 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-fluoro-5-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 175668568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).