1-butyl-3-(trifluoromethoxy)benzene

C11H13F3O — CID 57030134

IUPAC1-butyl-3-(trifluoromethoxy)benzene
SMILESCCCCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H13F3O/c1-2-3-5-9-6-4-7-10(8-9)15-11(12,13)14/h4,6-8H,2-3,5H2,1H3
InChIKeyFALWIGAEFYDFAY-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.93
Rot. Bonds4

About 1-butyl-3-(trifluoromethoxy)benzene

1-butyl-3-(trifluoromethoxy)benzene (PubChem CID 57030134) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-butyl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-butyl-3-(trifluoromethoxy)benzene
PubChem CID57030134
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1-butyl-3-(trifluoromethoxy)benzene
SMILESCCCCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H13F3O/c1-2-3-5-9-6-4-7-10(8-9)15-11(12,13)14/h4,6-8H,2-3,5H2,1H3
InChIKeyFALWIGAEFYDFAY-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
1-heptyl-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 59545774
1-[3-(trifluoromethoxy)phenyl]hexan-3-amine
CID 64505790
1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
CID 64513226
ethyl 4-[3-(trifluoromethoxy)phenyl]butanoate
CID 86728216
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
hexane;1-methyl-3-(trifluoromethoxy)benzene
CID 143689144
1-(3-chlorobutyl)-3-(trifluoromethoxy)benzene
CID 64515626
1,5-bis[3-(trifluoromethoxy)phenyl]pentan-3-one
CID 150145529
N-[[3-(trifluoromethoxy)phenyl]methyl]heptan-2-amine
CID 107104430
methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
CID 142185562

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-butyl-3-(trifluoromethoxy)benzene (CID 57030134) is 1-butyl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-butyl-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-butyl-3-(trifluoromethoxy)benzene is CCCCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-butyl-3-(trifluoromethoxy)benzene?
The InChIKey is FALWIGAEFYDFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-2-3-5-9-6-4-7-10(8-9)15-11(12,13)14/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 1-butyl-3-(trifluoromethoxy)benzene?
1-butyl-3-(trifluoromethoxy)benzene has a molecular weight of 218.22 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 57030134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).