1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene

C20H21F3 — CID 67584919

IUPAC1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene
SMILESCCC/C=C(/F)c1ccccc1CCCc1ccc(F)c(F)c1
InChIInChI=1S/C20H21F3/c1-2-3-11-18(21)17-10-5-4-8-16(17)9-6-7-15-12-13-19(22)20(23)14-15/h4-5,8,10-14H,2-3,6-7,9H2,1H3/b18-11+
InChIKeyCWEVBGOIZKOJMT-WOJGMQOQSA-N
MW318.38 g/mol
LogP6.25
Rot. Bonds7

About 1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene

1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene (PubChem CID 67584919) has the molecular formula C20H21F3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene
PubChem CID67584919
Molecular FormulaC20H21F3
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene
SMILESCCC/C=C(/F)c1ccccc1CCCc1ccc(F)c(F)c1
InChIInChI=1S/C20H21F3/c1-2-3-11-18(21)17-10-5-4-8-16(17)9-6-7-15-12-13-19(22)20(23)14-15/h4-5,8,10-14H,2-3,6-7,9H2,1H3/b18-11+
InChIKeyCWEVBGOIZKOJMT-WOJGMQOQSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.38
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-4-[3-[4-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene
CID 70028022
1,2-difluoro-4-propylbenzene;methane
CID 160697343
1-butyl-2-(1-fluoroethenyl)benzene
CID 143939431
2-fluoro-1-(1-fluorohex-1-enyl)-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 54438632
5-(3,4-difluorophenyl)pentanal
CID 82255703
13-[2-[(Z)-1-hydroxypent-1-enyl]phenyl]tridecanoic acid
CID 58721545
11-(3,4-difluorophenyl)undecanal
CID 123357909
2-[3-(4-ethylphenyl)propyl]benzoic acid
CID 54190644
ethyl 3-fluoro-3-[2-(8-phenyloctyl)phenyl]prop-2-enoate
CID 67877591
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569
2-[4-(3,4-difluorophenyl)butanoylamino]pentanoic acid
CID 82224521
4-[2-[2,6-difluoro-4-(1-fluoropent-1-enyl)phenyl]ethyl]-2,6-difluorobenzonitrile
CID 54364242

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene?
The IUPAC name of 1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene (CID 67584919) is 1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene is CCC/C=C(/F)c1ccccc1CCCc1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene?
The InChIKey is CWEVBGOIZKOJMT-WOJGMQOQSA-N. The full InChI is InChI=1S/C20H21F3/c1-2-3-11-18(21)17-10-5-4-8-16(17)9-6-7-15-12-13-19(22)20(23)14-15/h4-5,8,10-14H,2-3,6-7,9H2,1H3/b18-11+.
What are the key properties of 1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene?
1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene has a molecular weight of 318.38 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[3-[2-[(E)-1-fluoropent-1-enyl]phenyl]propyl]benzene is sourced from PubChem (CID 67584919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).