ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene

C13H19F — CID 142869478

IUPACethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene
SMILESCC.CC/C=C(\C)c1ccc(F)cc1
InChIInChI=1S/C11H13F.C2H6/c1-3-4-9(2)10-5-7-11(12)8-6-10;1-2/h4-8H,3H2,1-2H3;1-2H3/b9-4+;
InChIKeyRKPIBPFZRDOCFC-JOKMOOFLSA-N
MW194.29 g/mol
LogP4.67
Rot. Bonds2

About ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene

ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene (PubChem CID 142869478) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene.

Molecular Properties

Compound Nameethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene
PubChem CID142869478
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Nameethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene
SMILESCC.CC/C=C(\C)c1ccc(F)cc1
InChIInChI=1S/C11H13F.C2H6/c1-3-4-9(2)10-5-7-11(12)8-6-10;1-2/h4-8H,3H2,1-2H3;1-2H3/b9-4+;
InChIKeyRKPIBPFZRDOCFC-JOKMOOFLSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(E)-3-[4-(4-fluorophenyl)phenyl]but-2-en-1-ol
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CID 138652147
1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene
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2-fluoro-5-pent-2-en-2-ylbenzoic acid
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1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene
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CID 174492825
1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene
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ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene
CID 142163032
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3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine
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CID 142025151

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene?
The IUPAC name of ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene (CID 142869478) is ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene.
What is the SMILES notation for ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene?
The canonical SMILES for ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene is CC.CC/C=C(\C)c1ccc(F)cc1.
What is the InChIKey of ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene?
The InChIKey is RKPIBPFZRDOCFC-JOKMOOFLSA-N. The full InChI is InChI=1S/C11H13F.C2H6/c1-3-4-9(2)10-5-7-11(12)8-6-10;1-2/h4-8H,3H2,1-2H3;1-2H3/b9-4+;.
What are the key properties of ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene?
ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene has a molecular weight of 194.29 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene is sourced from PubChem (CID 142869478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).