ethane;[(E)-3-fluorobut-2-en-2-yl]benzene

C12H17F — CID 168939251

IUPACethane;[(E)-3-fluorobut-2-en-2-yl]benzene
SMILESC/C(F)=C(/C)c1ccccc1.CC
InChIInChI=1S/C10H11F.C2H6/c1-8(9(2)11)10-6-4-3-5-7-10;1-2/h3-7H,1-2H3;1-2H3/b9-8+;
InChIKeyKGKIVTGOSGMBNQ-HRNDJLQDSA-N
MW180.27 g/mol
LogP4.43
Rot. Bonds1

About ethane;[(E)-3-fluorobut-2-en-2-yl]benzene

ethane;[(E)-3-fluorobut-2-en-2-yl]benzene (PubChem CID 168939251) has the molecular formula C12H17F and a molecular weight of 180.27 g/mol. Its IUPAC name is ethane;[(E)-3-fluorobut-2-en-2-yl]benzene.

Molecular Properties

Compound Nameethane;[(E)-3-fluorobut-2-en-2-yl]benzene
PubChem CID168939251
Molecular FormulaC12H17F
Molecular Weight180.27 g/mol
Exact Mass180.13
IUPAC Nameethane;[(E)-3-fluorobut-2-en-2-yl]benzene
SMILESC/C(F)=C(/C)c1ccccc1.CC
InChIInChI=1S/C10H11F.C2H6/c1-8(9(2)11)10-6-4-3-5-7-10;1-2/h3-7H,1-2H3;1-2H3/b9-8+;
InChIKeyKGKIVTGOSGMBNQ-HRNDJLQDSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;[(E)-3-fluorobut-2-en-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
2-fluoro-1-phenylprop-1-en-1-ol
CID 164853949
(Z)-2-fluoro-3-phenylbut-2-en-1-ol
CID 13492187
(E)-2-fluoro-3-phenylbut-2-en-1-ol
CID 102075311
(Z)-2,3-difluoro-1-phenylbut-2-en-1-one
CID 23236975
3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
CID 143250660
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
4,4-dimethyl-2-phenylpent-2-en-3-ol
CID 71336376
prop-1-en-2-ylbenzene;1,1,2,2-tetrafluoroethene
CID 161134762
2,3-diphenylbut-2-en-1-ol
CID 91085638
(E)-2-methyl-3-phenylbut-2-enal
CID 13359373
ethyl (E)-2-fluoro-3-phenylbut-2-enoate
CID 12705934

Frequently Asked Questions

What is the IUPAC name of ethane;[(E)-3-fluorobut-2-en-2-yl]benzene?
The IUPAC name of ethane;[(E)-3-fluorobut-2-en-2-yl]benzene (CID 168939251) is ethane;[(E)-3-fluorobut-2-en-2-yl]benzene.
What is the SMILES notation for ethane;[(E)-3-fluorobut-2-en-2-yl]benzene?
The canonical SMILES for ethane;[(E)-3-fluorobut-2-en-2-yl]benzene is C/C(F)=C(/C)c1ccccc1.CC.
What is the InChIKey of ethane;[(E)-3-fluorobut-2-en-2-yl]benzene?
The InChIKey is KGKIVTGOSGMBNQ-HRNDJLQDSA-N. The full InChI is InChI=1S/C10H11F.C2H6/c1-8(9(2)11)10-6-4-3-5-7-10;1-2/h3-7H,1-2H3;1-2H3/b9-8+;.
What are the key properties of ethane;[(E)-3-fluorobut-2-en-2-yl]benzene?
ethane;[(E)-3-fluorobut-2-en-2-yl]benzene has a molecular weight of 180.27 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(E)-3-fluorobut-2-en-2-yl]benzene is sourced from PubChem (CID 168939251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).