1-pent-1-en-2-yl-2-(trifluoromethyl)benzene

C12H13F3 — CID 155364675

IUPAC1-pent-1-en-2-yl-2-(trifluoromethyl)benzene
SMILESC=C(CCC)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3/c1-3-6-9(2)10-7-4-5-8-11(10)12(13,14)15/h4-5,7-8H,2-3,6H2,1H3
InChIKeyLDEHIUGLNMGTSA-UHFFFAOYSA-N
MW214.23 g/mol
LogP4.52
Rot. Bonds3

About 1-pent-1-en-2-yl-2-(trifluoromethyl)benzene

1-pent-1-en-2-yl-2-(trifluoromethyl)benzene (PubChem CID 155364675) has the molecular formula C12H13F3 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-pent-1-en-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-pent-1-en-2-yl-2-(trifluoromethyl)benzene
PubChem CID155364675
Molecular FormulaC12H13F3
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name1-pent-1-en-2-yl-2-(trifluoromethyl)benzene
SMILESC=C(CCC)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3/c1-3-6-9(2)10-7-4-5-8-11(10)12(13,14)15/h4-5,7-8H,2-3,6H2,1H3
InChIKeyLDEHIUGLNMGTSA-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-pent-1-en-2-ylbenzene
CID 173350978
(NZ)-N-[1-[2-(trifluoromethyl)phenyl]propylidene]hydroxylamine
CID 154038500
2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 117266986
pent-1-en-2-ylbenzene
CID 521761
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
4,4,5,5-tetramethyl-2-[1-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane
CID 135060885
1-[2-(trifluoromethyl)phenyl]hexan-3-one
CID 64505702
1-(2,2,3,3-tetrafluoro-4H-thiochromen-6-yl)-4-[2-(trifluoromethyl)phenyl]pent-4-en-1-one
CID 139563028
4-ethoxy-1-[2-(trifluoromethyl)phenyl]butan-1-one
CID 105098073
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
2-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-one
CID 116708193

Frequently Asked Questions

What is the IUPAC name of 1-pent-1-en-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-pent-1-en-2-yl-2-(trifluoromethyl)benzene (CID 155364675) is 1-pent-1-en-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-pent-1-en-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-pent-1-en-2-yl-2-(trifluoromethyl)benzene is C=C(CCC)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-pent-1-en-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is LDEHIUGLNMGTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3/c1-3-6-9(2)10-7-4-5-8-11(10)12(13,14)15/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 1-pent-1-en-2-yl-2-(trifluoromethyl)benzene?
1-pent-1-en-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 214.23 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-1-en-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 155364675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).