1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene

C12H14F2 — CID 83925405

IUPAC1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene
SMILESC/C=C\CC(C)c1c(F)cccc1F
InChIInChI=1S/C12H14F2/c1-3-4-6-9(2)12-10(13)7-5-8-11(12)14/h3-5,7-9H,6H2,1-2H3/b4-3-
InChIKeyMHAXPGXSHOEBRT-ARJAWSKDSA-N
MW196.24 g/mol
LogP4.03
Rot. Bonds3

About 1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene

1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene (PubChem CID 83925405) has the molecular formula C12H14F2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene
PubChem CID83925405
Molecular FormulaC12H14F2
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene
SMILESC/C=C\CC(C)c1c(F)cccc1F
InChIInChI=1S/C12H14F2/c1-3-4-6-9(2)12-10(13)7-5-8-11(12)14/h3-5,7-9H,6H2,1-2H3/b4-3-
InChIKeyMHAXPGXSHOEBRT-ARJAWSKDSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 54.03
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

1,3-dichloro-2-[(Z)-hex-4-en-2-yl]benzene
CID 83924962
1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene
CID 83925287
2-butan-2-yl-1,3-difluorobenzene
CID 56605716
2-(4-bromobutan-2-yl)-1,3-difluorobenzene
CID 83925329
3-(2,6-difluorophenyl)butane-1-thiol
CID 83925324
5-(2,6-difluorophenyl)hexan-2-one
CID 83925322
4-(2,6-difluorophenyl)pentanoic acid
CID 135358255
1,3-difluoro-2-pent-4-yn-2-ylbenzene
CID 83925354
1-ethoxy-4-[(Z)-hex-4-en-2-yl]benzene
CID 83932237
3-[3-fluoro-2-(1-fluoroethyl)phenyl]butanal
CID 117302958
1-(2,6-difluorophenyl)ethanol
CID 5012075
2-(2-fluoro-6-methylphenyl)propan-1-amine
CID 84765270

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene?
The IUPAC name of 1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene (CID 83925405) is 1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene.
What is the SMILES notation for 1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene?
The canonical SMILES for 1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene is C/C=C\CC(C)c1c(F)cccc1F.
What is the InChIKey of 1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene?
The InChIKey is MHAXPGXSHOEBRT-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H14F2/c1-3-4-6-9(2)12-10(13)7-5-8-11(12)14/h3-5,7-9H,6H2,1-2H3/b4-3-.
What are the key properties of 1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene?
1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene has a molecular weight of 196.24 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene is sourced from PubChem (CID 83925405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).