1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene

C12H13F3O — CID 118269613

IUPAC1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene
SMILESC=Cc1cc(OC(F)(F)F)cc(C(C)C)c1
InChIInChI=1S/C12H13F3O/c1-4-9-5-10(8(2)3)7-11(6-9)16-12(13,14)15/h4-8H,1H2,2-3H3
InChIKeyNUGOWQMFUQKLCE-UHFFFAOYSA-N
MW230.23 g/mol
LogP4.35
Rot. Bonds3

About 1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene

1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene (PubChem CID 118269613) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene
PubChem CID118269613
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene
SMILESC=Cc1cc(OC(F)(F)F)cc(C(C)C)c1
InChIInChI=1S/C12H13F3O/c1-4-9-5-10(8(2)3)7-11(6-9)16-12(13,14)15/h4-8H,1H2,2-3H3
InChIKeyNUGOWQMFUQKLCE-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-5-(trifluoromethoxy)phenol
CID 170367296
(3-ethenyl-5-propan-2-ylphenyl) acetate
CID 118269326
3-(3-propan-2-ylphenyl)-5-(trifluoromethoxy)benzaldehyde
CID 175670422
3-[3-propan-2-yl-5-(trifluoromethoxy)phenyl]sulfanylpropan-1-amine
CID 134447124
ethane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 143418599
2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-5-ethenyl-1,3-dimethylbenzene
CID 89308303
1-propan-2-yloxy-3-prop-1-en-2-yl-5-(trifluoromethoxy)benzene
CID 151367151
methyl 4-[3-formyl-5-(trifluoromethoxy)phenyl]-3,4-dihydroxybutanoate
CID 171896532
3-(4-chloro-1,2-dihydroxybutyl)-5-(trifluoromethoxy)benzaldehyde
CID 171894742
1-ethenyl-3-nitro-5-propan-2-ylbenzene
CID 118269518
1-ethenyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-[(2-methylpropan-2-yl)oxy]benzene;2-methylpropane
CID 144776669
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene?
The IUPAC name of 1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene (CID 118269613) is 1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene?
The canonical SMILES for 1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene is C=Cc1cc(OC(F)(F)F)cc(C(C)C)c1.
What is the InChIKey of 1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene?
The InChIKey is NUGOWQMFUQKLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-4-9-5-10(8(2)3)7-11(6-9)16-12(13,14)15/h4-8H,1H2,2-3H3.
What are the key properties of 1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene?
1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene has a molecular weight of 230.23 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene is sourced from PubChem (CID 118269613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).