1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene

C23H18ClF3O — CID 21282190

IUPAC1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene
SMILESFC(F)(F)/C(=C/CCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClF3O/c24-19-14-12-18(13-15-19)22(23(25,26)27)11-5-7-17-6-4-10-21(16-17)28-20-8-2-1-3-9-20/h1-4,6,8-16H,5,7H2/b22-11+
InChIKeyQIHQERUGAGJUCD-SSDVNMTOSA-N
MW402.84 g/mol
LogP7.71
Rot. Bonds6

About 1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene

1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene (PubChem CID 21282190) has the molecular formula C23H18ClF3O and a molecular weight of 402.84 g/mol. Its IUPAC name is 1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene
PubChem CID21282190
Molecular FormulaC23H18ClF3O
Molecular Weight402.84 g/mol
Exact Mass402.10
IUPAC Name1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene
SMILESFC(F)(F)/C(=C/CCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClF3O/c24-19-14-12-18(13-15-19)22(23(25,26)27)11-5-7-17-6-4-10-21(16-17)28-20-8-2-1-3-9-20/h1-4,6,8-16H,5,7H2/b22-11+
InChIKeyQIHQERUGAGJUCD-SSDVNMTOSA-N
XLogP7.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.84
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene 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-(methoxymethyl)-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene
CID 67931633
N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
CID 3890451
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide
CID 42657158
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene
CID 19753519
(E)-3-(4-chlorophenyl)-4,5-difluoro-6-(3-phenoxyphenyl)hex-4-en-1-ol
CID 59032878
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene
CID 175788852
O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine
CID 70328093
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(3,3,3-trifluoro-2-phenylprop-1-enyl)cyclopropane-1-carboxylate
CID 70518731

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene?
The IUPAC name of 1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene (CID 21282190) is 1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene is FC(F)(F)/C(=C/CCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene?
The InChIKey is QIHQERUGAGJUCD-SSDVNMTOSA-N. The full InChI is InChI=1S/C23H18ClF3O/c24-19-14-12-18(13-15-19)22(23(25,26)27)11-5-7-17-6-4-10-21(16-17)28-20-8-2-1-3-9-20/h1-4,6,8-16H,5,7H2/b22-11+.
What are the key properties of 1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene?
1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene has a molecular weight of 402.84 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-1,1,1-trifluoro-5-(3-phenoxyphenyl)pent-2-en-2-yl]benzene is sourced from PubChem (CID 21282190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).