2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene

C22H27F — CID 22991382

IUPAC2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCCC/C=C/c1ccc(CCc2ccc(CCC)cc2)cc1F
InChIInChI=1S/C22H27F/c1-3-5-6-8-21-16-15-20(17-22(21)23)14-13-19-11-9-18(7-4-2)10-12-19/h6,8-12,15-17H,3-5,7,13-14H2,1-2H3/b8-6+
InChIKeyKTLGXBSHWSPKQY-SOFGYWHQSA-N
MW310.46 g/mol
LogP6.38
Rot. Bonds8

About 2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene

2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene (PubChem CID 22991382) has the molecular formula C22H27F and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
PubChem CID22991382
Molecular FormulaC22H27F
Molecular Weight310.46 g/mol
Exact Mass310.21
IUPAC Name2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCCC/C=C/c1ccc(CCc2ccc(CCC)cc2)cc1F
InChIInChI=1S/C22H27F/c1-3-5-6-8-21-16-15-20(17-22(21)23)14-13-19-11-9-18(7-4-2)10-12-19/h6,8-12,15-17H,3-5,7,13-14H2,1-2H3/b8-6+
InChIKeyKTLGXBSHWSPKQY-SOFGYWHQSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.46
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-pent-1-enyl-1,4-dipropylbenzene
CID 151469521
1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene
CID 22991673
2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 21052760
1,2-difluoro-4-propylbenzene;methane
CID 160697343
2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 58698355
N-[(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 54528266
2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
[3-fluoro-4-[3-(methylamino)prop-1-enyl]phenyl]methanol
CID 169473492
2-fluoro-4-[4-[3-fluoro-4-[(E)-hex-1-enyl]phenyl]buta-1,3-diynyl]-1-[(E)-hex-1-enyl]benzene
CID 139688448
4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde
CID 58047174
2-fluoro-4-[2-[4-[(E)-hept-1-enyl]phenyl]ethyl]benzonitrile
CID 22991686
2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698539

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene (CID 22991382) is 2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene is CCC/C=C/c1ccc(CCc2ccc(CCC)cc2)cc1F.
What is the InChIKey of 2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene?
The InChIKey is KTLGXBSHWSPKQY-SOFGYWHQSA-N. The full InChI is InChI=1S/C22H27F/c1-3-5-6-8-21-16-15-20(17-22(21)23)14-13-19-11-9-18(7-4-2)10-12-19/h6,8-12,15-17H,3-5,7,13-14H2,1-2H3/b8-6+.
What are the key properties of 2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene?
2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene has a molecular weight of 310.46 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 22991382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).