(4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone

C17H14ClF3O2 — CID 150676491

IUPAC(4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone
SMILESCCCc1ccc(OC(F)(F)F)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClF3O2/c1-2-3-11-6-9-14(23-17(19,20)21)10-15(11)16(22)12-4-7-13(18)8-5-12/h4-10H,2-3H2,1H3
InChIKeyJGZPJUJCRYVWIT-UHFFFAOYSA-N
MW342.74 g/mol
LogP5.42
Rot. Bonds5

About (4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone

(4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone (PubChem CID 150676491) has the molecular formula C17H14ClF3O2 and a molecular weight of 342.74 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone
PubChem CID150676491
Molecular FormulaC17H14ClF3O2
Molecular Weight342.74 g/mol
Exact Mass342.06
IUPAC Name(4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone
SMILESCCCc1ccc(OC(F)(F)F)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClF3O2/c1-2-3-11-6-9-14(23-17(19,20)21)10-15(11)16(22)12-4-7-13(18)8-5-12/h4-10H,2-3H2,1H3
InChIKeyJGZPJUJCRYVWIT-UHFFFAOYSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.74
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
2-methyl-1-propyl-4-(trifluoromethoxy)benzene
CID 118269891
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 167530793
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
CID 146009854
1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
CID 58180993
(4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone
CID 166082039
(2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628405
[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
CID 767339
N-[[4-chloro-2-(4-methoxybenzoyl)phenyl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 135058504
(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629442

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone (CID 150676491) is (4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone is CCCc1ccc(OC(F)(F)F)cc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone?
The InChIKey is JGZPJUJCRYVWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3O2/c1-2-3-11-6-9-14(23-17(19,20)21)10-15(11)16(22)12-4-7-13(18)8-5-12/h4-10H,2-3H2,1H3.
What are the key properties of (4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone?
(4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone has a molecular weight of 342.74 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 150676491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).