4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene

C12H13F3O — CID 118268755

IUPAC4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene
SMILESC=Cc1ccc(OCCC)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F3O/c1-3-7-16-11-6-5-9(4-2)8-10(11)12(13,14)15/h4-6,8H,2-3,7H2,1H3
InChIKeyRWWWCAVKHQQFHD-UHFFFAOYSA-N
MW230.23 g/mol
LogP4.14
Rot. Bonds4

About 4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene

4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene (PubChem CID 118268755) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene
PubChem CID118268755
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene
SMILESC=Cc1ccc(OCCC)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F3O/c1-3-7-16-11-6-5-9(4-2)8-10(11)12(13,14)15/h4-6,8H,2-3,7H2,1H3
InChIKeyRWWWCAVKHQQFHD-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-pentoxy-3-(trifluoromethyl)benzaldehyde
CID 55218912
4-(chloromethyl)-1-propoxy-2-(trifluoromethyl)benzene
CID 63320761
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320520
5-ethenyl-1,2,3-tripropoxybenzene
CID 102253106
4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320389
5-ethenyl-2-(trifluoromethyl)phenol
CID 154471401
4-(4-hydroxybutoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320609
(E)-2-amino-4-[4-heptoxy-3-(trifluoromethyl)phenyl]-2-(methoxymethyl)but-3-en-1-ol
CID 143486195
2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid
CID 175190331
3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
CID 63320392
2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine
CID 144787128
(E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 117333672

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene?
The IUPAC name of 4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene (CID 118268755) is 4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene is C=Cc1ccc(OCCC)c(C(F)(F)F)c1.
What is the InChIKey of 4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene?
The InChIKey is RWWWCAVKHQQFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-3-7-16-11-6-5-9(4-2)8-10(11)12(13,14)15/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene?
4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene has a molecular weight of 230.23 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene is sourced from PubChem (CID 118268755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).