(2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone

C17H13F3O — CID 114601779

IUPAC(2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)c1ccccc1C1CCC1
InChIInChI=1S/C17H13F3O/c18-14-8-11(9-15(19)16(14)20)17(21)13-7-2-1-6-12(13)10-4-3-5-10/h1-2,6-10H,3-5H2
InChIKeyCUNLPTHXGANXQH-UHFFFAOYSA-N
MW290.28 g/mol
LogP4.60
Rot. Bonds3

About (2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone

(2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone (PubChem CID 114601779) has the molecular formula C17H13F3O and a molecular weight of 290.28 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone
PubChem CID114601779
Molecular FormulaC17H13F3O
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name(2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)c1ccccc1C1CCC1
InChIInChI=1S/C17H13F3O/c18-14-8-11(9-15(19)16(14)20)17(21)13-7-2-1-6-12(13)10-4-3-5-10/h1-2,6-10H,3-5H2
InChIKeyCUNLPTHXGANXQH-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 115813675
(3-bromo-5-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 114601946
(2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone
CID 105134655
(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
(2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 114601820
(2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 115813620
(2-cyclobutylphenyl)-(4-methoxyphenyl)methanone
CID 114601682
(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone
CID 114601750
[2-(3-hydroxycyclohexyl)phenyl]-phenylmethanone
CID 163782869
(2-cyclopentylphenyl)-(3-methoxyphenyl)methanone
CID 67555380
(2-cyclohexylphenyl)-(2-methylphenyl)methanone
CID 86030332
4-(2-cyclobutylphenyl)-3-fluorobenzoic acid
CID 114605073

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of (2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone (CID 114601779) is (2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for (2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone is O=C(c1cc(F)c(F)c(F)c1)c1ccccc1C1CCC1.
What is the InChIKey of (2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone?
The InChIKey is CUNLPTHXGANXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O/c18-14-8-11(9-15(19)16(14)20)17(21)13-7-2-1-6-12(13)10-4-3-5-10/h1-2,6-10H,3-5H2.
What are the key properties of (2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone?
(2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone has a molecular weight of 290.28 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 114601779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).