2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene

C14H17F3O — CID 123806348

IUPAC2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene
SMILESCC=CCC(C)c1cc(OC(F)(F)F)ccc1C
InChIInChI=1S/C14H17F3O/c1-4-5-6-10(2)13-9-12(8-7-11(13)3)18-14(15,16)17/h4-5,7-10H,6H2,1-3H3
InChIKeyFVJUDKLIHVYCEK-UHFFFAOYSA-N
MW258.28 g/mol
LogP4.96
Rot. Bonds4

About 2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene

2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene (PubChem CID 123806348) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene
PubChem CID123806348
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene
SMILESCC=CCC(C)c1cc(OC(F)(F)F)ccc1C
InChIInChI=1S/C14H17F3O/c1-4-5-6-10(2)13-9-12(8-7-11(13)3)18-14(15,16)17/h4-5,7-10H,6H2,1-3H3
InChIKeyFVJUDKLIHVYCEK-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586
1,2-di(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 59455097
2-methyl-4-[2-methyl-5-(trifluoromethoxy)phenyl]-4-phenylbutan-1-ol
CID 142931027
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
2-iodo-1-methyl-4-(trifluoromethoxy)benzene
CID 146710880
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
5-[2-methyl-5-(trifluoromethoxy)phenyl]pentan-2-amine
CID 89494915
1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene
CID 143206169
4-(difluoromethoxy)-2-ethyl-1-methylbenzene;2-ethyl-1-methyl-4-propan-2-yloxybenzene;2-ethyl-1-methyl-4-(trifluoromethoxy)benzene
CID 91000762
(E)-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-3-en-1-amine
CID 113236609
2-(1-amino-3-methylbutyl)-4-(trifluoromethoxy)aniline
CID 83988086
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine
CID 171216263

Frequently Asked Questions

What is the IUPAC name of 2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene (CID 123806348) is 2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene is CC=CCC(C)c1cc(OC(F)(F)F)ccc1C.
What is the InChIKey of 2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene?
The InChIKey is FVJUDKLIHVYCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O/c1-4-5-6-10(2)13-9-12(8-7-11(13)3)18-14(15,16)17/h4-5,7-10H,6H2,1-3H3.
What are the key properties of 2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene?
2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene has a molecular weight of 258.28 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-4-en-2-yl-1-methyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 123806348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).