2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene

C17H24F2 — CID 118861553

IUPAC2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene
SMILESC/C=C/C(CCC)CCCc1ccc(C)c(F)c1F
InChIInChI=1S/C17H24F2/c1-4-7-14(8-5-2)9-6-10-15-12-11-13(3)16(18)17(15)19/h4,7,11-12,14H,5-6,8-10H2,1-3H3/b7-4+
InChIKeyUNWKFQFUOUGHEB-QPJJXVBHSA-N
MW266.38 g/mol
LogP5.59
Rot. Bonds7

About 2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene

2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene (PubChem CID 118861553) has the molecular formula C17H24F2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene
PubChem CID118861553
Molecular FormulaC17H24F2
Molecular Weight266.38 g/mol
Exact Mass266.18
IUPAC Name2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene
SMILESC/C=C/C(CCC)CCCc1ccc(C)c(F)c1F
InChIInChI=1S/C17H24F2/c1-4-7-14(8-5-2)9-6-10-15-12-11-13(3)16(18)17(15)19/h4,7,11-12,14H,5-6,8-10H2,1-3H3/b7-4+
InChIKeyUNWKFQFUOUGHEB-QPJJXVBHSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)hexan-3-ol
CID 107514399
1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene
CID 123274263
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene
CID 146536354
4-(2,3-difluoro-4-methylphenyl)butan-2-amine
CID 107514336
1-[(E)-but-2-enyl]-2,3-difluoro-4-methylbenzene
CID 89273805
1-butyl-4-ethyl-2,3-difluorobenzene
CID 139904703
2,3-difluoro-1,4-bis(4-pentylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 91519277
1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine
CID 107514366
3-(2,3-difluoro-4-methylphenyl)-1-phenylpropan-1-amine
CID 107514342
1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-3-one
CID 107514321
2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene
CID 155200965
1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene
CID 167020385

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene?
The IUPAC name of 2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene (CID 118861553) is 2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene?
The canonical SMILES for 2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene is C/C=C/C(CCC)CCCc1ccc(C)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene?
The InChIKey is UNWKFQFUOUGHEB-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H24F2/c1-4-7-14(8-5-2)9-6-10-15-12-11-13(3)16(18)17(15)19/h4,7,11-12,14H,5-6,8-10H2,1-3H3/b7-4+.
What are the key properties of 2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene?
2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene has a molecular weight of 266.38 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methyl-4-[(E)-4-propylhept-5-enyl]benzene is sourced from PubChem (CID 118861553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).