1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

C13H10F6O2 — CID 103311606

IUPAC1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESO=C(c1cccc(OC2CC2)c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H10F6O2/c14-12(15,16)11(13(17,18)19)10(20)7-2-1-3-9(6-7)21-8-4-5-8/h1-3,6,8,11H,4-5H2
InChIKeyGOLVZPFVNJAIHP-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.15
Rot. Bonds4

About 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (PubChem CID 103311606) has the molecular formula C13H10F6O2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
PubChem CID103311606
Molecular FormulaC13H10F6O2
Molecular Weight312.21 g/mol
Exact Mass312.06
IUPAC Name1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESO=C(c1cccc(OC2CC2)c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H10F6O2/c14-12(15,16)11(13(17,18)19)10(20)7-2-1-3-9(6-7)21-8-4-5-8/h1-3,6,8,11H,4-5H2
InChIKeyGOLVZPFVNJAIHP-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136
1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
CID 114523725
2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one
CID 114523838
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
CID 114521268
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
2-(aminomethyl)-1-(3-cyclopropyloxyphenyl)-4-methylpentan-1-one
CID 114523852
3-(oxan-4-yloxy)benzoic acid
CID 23149060
1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446837
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847
3-cyclopentyloxybenzamide
CID 71932153
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (CID 103311606) is 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is O=C(c1cccc(OC2CC2)c1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The InChIKey is GOLVZPFVNJAIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6O2/c14-12(15,16)11(13(17,18)19)10(20)7-2-1-3-9(6-7)21-8-4-5-8/h1-3,6,8,11H,4-5H2.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one has a molecular weight of 312.21 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 103311606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).