1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene

C15H13ClF2 — CID 142807623

IUPAC1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene
SMILESCC(Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H13ClF2/c1-10(6-11-2-4-13(16)5-3-11)12-7-14(17)9-15(18)8-12/h2-5,7-10H,6H2,1H3
InChIKeyQCURSPANTMROPV-UHFFFAOYSA-N
MW266.72 g/mol
LogP4.96
Rot. Bonds3

About 1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene

1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene (PubChem CID 142807623) has the molecular formula C15H13ClF2 and a molecular weight of 266.72 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene
PubChem CID142807623
Molecular FormulaC15H13ClF2
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene
SMILESCC(Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H13ClF2/c1-10(6-11-2-4-13(16)5-3-11)12-7-14(17)9-15(18)8-12/h2-5,7-10H,6H2,1H3
InChIKeyQCURSPANTMROPV-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine
CID 142807611
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453
1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene
CID 155445804
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
CID 81352116
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene
CID 58698493
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560
2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 54967680
3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440300
[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium
CID 6927062
1-(4-chlorophenyl)propan-2-amine
CID 3127

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene?
The IUPAC name of 1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene (CID 142807623) is 1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene.
What is the SMILES notation for 1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene?
The canonical SMILES for 1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene is CC(Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of 1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene?
The InChIKey is QCURSPANTMROPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2/c1-10(6-11-2-4-13(16)5-3-11)12-7-14(17)9-15(18)8-12/h2-5,7-10H,6H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene?
1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene has a molecular weight of 266.72 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene is sourced from PubChem (CID 142807623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).