1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene

C24H19F3O — CID 100977614

IUPAC1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene
SMILESF/C(=C\C1(c2ccc(F)cc2)CC1)Cc1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C24H19F3O/c25-19-9-7-18(8-10-19)24(12-13-24)16-20(26)14-17-6-11-22(27)23(15-17)28-21-4-2-1-3-5-21/h1-11,15-16H,12-14H2/b20-16-
InChIKeyOPPCWNKMZVGJEX-SILNSSARSA-N
MW380.41 g/mol
LogP6.88
Rot. Bonds6

About 1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene

1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene (PubChem CID 100977614) has the molecular formula C24H19F3O and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene.

Molecular Properties

Compound Name1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene
PubChem CID100977614
Molecular FormulaC24H19F3O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC Name1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene
SMILESF/C(=C\C1(c2ccc(F)cc2)CC1)Cc1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C24H19F3O/c25-19-9-7-18(8-10-19)24(12-13-24)16-20(26)14-17-6-11-22(27)23(15-17)28-21-4-2-1-3-5-21/h1-11,15-16H,12-14H2/b20-16-
InChIKeyOPPCWNKMZVGJEX-SILNSSARSA-N
XLogP6.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene
CID 21269893
1-fluoro-2-phenoxy-4-prop-2-enylbenzene
CID 11075159
2-(4-fluoro-3-phenoxyphenyl)ethanamine
CID 170887829
1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene
CID 19793913
2-(4-fluoro-3-phenoxyphenyl)acetonitrile
CID 11172199
4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol
CID 141024524
(4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium
CID 19754847
1-[1-(4-chlorophenyl)cycloprop-2-en-1-yl]-3-(4-fluoro-3-phenoxyphenyl)propan-2-ol
CID 152746808
4-[4-(4-chlorophenyl)-2,3-difluoro-5,5-dimethylhex-2-enyl]-1-fluoro-2-phenoxybenzene
CID 140995550
2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile
CID 54234925
1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone
CID 58187299
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene?
The IUPAC name of 1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene (CID 100977614) is 1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene.
What is the SMILES notation for 1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene?
The canonical SMILES for 1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene is F/C(=C\C1(c2ccc(F)cc2)CC1)Cc1ccc(F)c(Oc2ccccc2)c1.
What is the InChIKey of 1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene?
The InChIKey is OPPCWNKMZVGJEX-SILNSSARSA-N. The full InChI is InChI=1S/C24H19F3O/c25-19-9-7-18(8-10-19)24(12-13-24)16-20(26)14-17-6-11-22(27)23(15-17)28-21-4-2-1-3-5-21/h1-11,15-16H,12-14H2/b20-16-.
What are the key properties of 1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene?
1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene has a molecular weight of 380.41 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene is sourced from PubChem (CID 100977614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).