3-(difluoromethylidene)hept-1-en-2-ylbenzene

C14H16F2 — CID 10911134

IUPAC3-(difluoromethylidene)hept-1-en-2-ylbenzene
SMILESC=C(C(CCCC)=C(F)F)c1ccccc1
InChIInChI=1S/C14H16F2/c1-3-4-10-13(14(15)16)11(2)12-8-6-5-7-9-12/h5-9H,2-4,10H2,1H3
InChIKeyMDQXOAGRTXHGGR-UHFFFAOYSA-N
MW222.28 g/mol
LogP5.04
Rot. Bonds5

About 3-(difluoromethylidene)hept-1-en-2-ylbenzene

3-(difluoromethylidene)hept-1-en-2-ylbenzene (PubChem CID 10911134) has the molecular formula C14H16F2 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-(difluoromethylidene)hept-1-en-2-ylbenzene.

Molecular Properties

Compound Name3-(difluoromethylidene)hept-1-en-2-ylbenzene
PubChem CID10911134
Molecular FormulaC14H16F2
Molecular Weight222.28 g/mol
Exact Mass222.12
IUPAC Name3-(difluoromethylidene)hept-1-en-2-ylbenzene
SMILESC=C(C(CCCC)=C(F)F)c1ccccc1
InChIInChI=1S/C14H16F2/c1-3-4-10-13(14(15)16)11(2)12-8-6-5-7-9-12/h5-9H,2-4,10H2,1H3
InChIKeyMDQXOAGRTXHGGR-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.28
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluorohept-1-en-2-ylbenzene
CID 10954812
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
prop-1-en-2-ylbenzene;1,1,2,2-tetrafluoroethene
CID 161134762
[(E)-hept-2-en-3-yl]benzene
CID 14568345
tributyl(1-phenylethenyl)phosphanium
CID 71320893
3-butyldodeca-1,3,5,7-tetraen-2-ylbenzene
CID 91346550
pent-1-en-2-ylbenzene
CID 521761
ethane;1-phenylpentan-1-one
CID 143728184
2-[hydroxy(phenyl)methylidene]heptanoic acid
CID 70376341
tributyl-(2,2-difluoro-1-phenylethenyl)stannane
CID 24824295
tributyl(2-phenylprop-2-enyl)azanium
CID 20792578
buta-1,3-diene;hex-1-en-2-ylbenzene;styrene
CID 173447370

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)hept-1-en-2-ylbenzene?
The IUPAC name of 3-(difluoromethylidene)hept-1-en-2-ylbenzene (CID 10911134) is 3-(difluoromethylidene)hept-1-en-2-ylbenzene.
What is the SMILES notation for 3-(difluoromethylidene)hept-1-en-2-ylbenzene?
The canonical SMILES for 3-(difluoromethylidene)hept-1-en-2-ylbenzene is C=C(C(CCCC)=C(F)F)c1ccccc1.
What is the InChIKey of 3-(difluoromethylidene)hept-1-en-2-ylbenzene?
The InChIKey is MDQXOAGRTXHGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2/c1-3-4-10-13(14(15)16)11(2)12-8-6-5-7-9-12/h5-9H,2-4,10H2,1H3.
What are the key properties of 3-(difluoromethylidene)hept-1-en-2-ylbenzene?
3-(difluoromethylidene)hept-1-en-2-ylbenzene has a molecular weight of 222.28 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)hept-1-en-2-ylbenzene is sourced from PubChem (CID 10911134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).