1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene

C13H15F3 — CID 138652147

IUPAC1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene
SMILESCC/C=C(\C)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C13H15F3/c1-3-4-10(2)12-7-5-11(6-8-12)9-13(14,15)16/h4-8H,3,9H2,1-2H3/b10-4+
InChIKeyNSAIZVXWXBOMQT-ONNFQVAWSA-N
MW228.26 g/mol
LogP4.60
Rot. Bonds3

About 1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene

1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene (PubChem CID 138652147) has the molecular formula C13H15F3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene
PubChem CID138652147
Molecular FormulaC13H15F3
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene
SMILESCC/C=C(\C)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C13H15F3/c1-3-4-10(2)12-7-5-11(6-8-12)9-13(14,15)16/h4-8H,3,9H2,1-2H3/b10-4+
InChIKeyNSAIZVXWXBOMQT-ONNFQVAWSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-pent-2-en-2-ylbenzene
CID 123446481
ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene
CID 142869478
N-methyl-N-[(2Z,4Z)-4-methylhepta-2,4-dien-2-yl]-4-(2,2,2-trifluoroethyl)aniline
CID 176921198
fluoro 2,2-dimethyl-3-[4-[4-[(E)-pent-2-en-2-yl]phenyl]sulfanylphenyl]propanoate
CID 143136909
1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-4-[(E)-pent-2-en-2-yl]benzene
CID 143740427
N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline
CID 176921686
ethyl 4-[2-[4-(2,2,2-trifluoroethyl)phenyl]ethynyl]benzoate
CID 67947952
N-[(3Z,5Z)-2-methoxy-5-methylocta-3,5-dien-3-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline
CID 176921471
ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
CID 143144792
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine
CID 76997280
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene (CID 138652147) is 1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene is CC/C=C(\C)c1ccc(CC(F)(F)F)cc1.
What is the InChIKey of 1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene?
The InChIKey is NSAIZVXWXBOMQT-ONNFQVAWSA-N. The full InChI is InChI=1S/C13H15F3/c1-3-4-10(2)12-7-5-11(6-8-12)9-13(14,15)16/h4-8H,3,9H2,1-2H3/b10-4+.
What are the key properties of 1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene?
1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene has a molecular weight of 228.26 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 138652147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).