1,1-difluorohept-1-en-2-ylbenzene

C13H16F2 — CID 10954812

IUPAC1,1-difluorohept-1-en-2-ylbenzene
SMILESCCCCCC(=C(F)F)c1ccccc1
InChIInChI=1S/C13H16F2/c1-2-3-5-10-12(13(14)15)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
InChIKeyPMVGRWAOSCTYTO-UHFFFAOYSA-N
MW210.27 g/mol
LogP4.87
Rot. Bonds5

About 1,1-difluorohept-1-en-2-ylbenzene

1,1-difluorohept-1-en-2-ylbenzene (PubChem CID 10954812) has the molecular formula C13H16F2 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1,1-difluorohept-1-en-2-ylbenzene.

Molecular Properties

Compound Name1,1-difluorohept-1-en-2-ylbenzene
PubChem CID10954812
Molecular FormulaC13H16F2
Molecular Weight210.27 g/mol
Exact Mass210.12
IUPAC Name1,1-difluorohept-1-en-2-ylbenzene
SMILESCCCCCC(=C(F)F)c1ccccc1
InChIInChI=1S/C13H16F2/c1-2-3-5-10-12(13(14)15)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
InChIKeyPMVGRWAOSCTYTO-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 141438246
[(E)-4-fluorotetradec-3-en-3-yl]benzene
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10-phenyloctadec-9-en-9-amine
CID 140615449
2-(1-phenylheptylidene)propanedioic acid
CID 90121852
2-(1-phenylpentylidene)propanedinitrile
CID 3597720
2-methoxy-3-phenylundec-2-enoic acid
CID 54315676
1-[4-(7-phenyldodec-6-en-6-yl)phenyl]prop-2-en-1-one
CID 54435609
1-phenylheptadecan-1-one
CID 577626
(2-methyl-1-phenylhept-1-enyl)benzene
CID 173231724
[(Z)-non-3-en-4-yl]benzene
CID 101008148
3-(difluoromethylidene)hept-1-en-2-ylbenzene
CID 10911134
(Z)-2-butyl-3-phenylhept-2-enenitrile
CID 164676180

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorohept-1-en-2-ylbenzene?
The IUPAC name of 1,1-difluorohept-1-en-2-ylbenzene (CID 10954812) is 1,1-difluorohept-1-en-2-ylbenzene.
What is the SMILES notation for 1,1-difluorohept-1-en-2-ylbenzene?
The canonical SMILES for 1,1-difluorohept-1-en-2-ylbenzene is CCCCCC(=C(F)F)c1ccccc1.
What is the InChIKey of 1,1-difluorohept-1-en-2-ylbenzene?
The InChIKey is PMVGRWAOSCTYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2/c1-2-3-5-10-12(13(14)15)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3.
What are the key properties of 1,1-difluorohept-1-en-2-ylbenzene?
1,1-difluorohept-1-en-2-ylbenzene has a molecular weight of 210.27 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorohept-1-en-2-ylbenzene is sourced from PubChem (CID 10954812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).