1-butyl-3-methoxy-5-(trifluoromethyl)benzene

C12H15F3O — CID 123460618

IUPAC1-butyl-3-methoxy-5-(trifluoromethyl)benzene
SMILESCCCCc1cc(OC)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O/c1-3-4-5-9-6-10(12(13,14)15)8-11(7-9)16-2/h6-8H,3-5H2,1-2H3
InChIKeyRFNSMZVICPGQEK-UHFFFAOYSA-N
MW232.25 g/mol
LogP4.06
Rot. Bonds4

About 1-butyl-3-methoxy-5-(trifluoromethyl)benzene

1-butyl-3-methoxy-5-(trifluoromethyl)benzene (PubChem CID 123460618) has the molecular formula C12H15F3O and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-butyl-3-methoxy-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-butyl-3-methoxy-5-(trifluoromethyl)benzene
PubChem CID123460618
Molecular FormulaC12H15F3O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name1-butyl-3-methoxy-5-(trifluoromethyl)benzene
SMILESCCCCc1cc(OC)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O/c1-3-4-5-9-6-10(12(13,14)15)8-11(7-9)16-2/h6-8H,3-5H2,1-2H3
InChIKeyRFNSMZVICPGQEK-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-3,5-dimethoxybenzene
CID 524875
1-methoxy-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 121297371
[3-butyl-5-(trifluoromethyl)phenyl]methanol
CID 118268639
3-butyl-5-methoxyphenol
CID 12836529
1-[3-methoxy-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117337696
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
ethyl 2-[3-methoxy-5-(trifluoromethyl)phenyl]acetate
CID 134633121
4-[3,5-bis(trifluoromethyl)phenyl]butyl-diethoxy-methoxysilane
CID 90171444
1,3-dimethoxy-5-pentylbenzene;5-pentylbenzene-1,3-diol
CID 162222442
3-[3,5-bis(trifluoromethyl)phenyl]propyl-dimethoxy-methylsilane
CID 90172351
1,5-dibutyl-3-tert-butylbenzene
CID 140589363
1-tert-butyl-3-ethyl-5-methoxybenzene
CID 154541543

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methoxy-5-(trifluoromethyl)benzene?
The IUPAC name of 1-butyl-3-methoxy-5-(trifluoromethyl)benzene (CID 123460618) is 1-butyl-3-methoxy-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-butyl-3-methoxy-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-butyl-3-methoxy-5-(trifluoromethyl)benzene is CCCCc1cc(OC)cc(C(F)(F)F)c1.
What is the InChIKey of 1-butyl-3-methoxy-5-(trifluoromethyl)benzene?
The InChIKey is RFNSMZVICPGQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-3-4-5-9-6-10(12(13,14)15)8-11(7-9)16-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-butyl-3-methoxy-5-(trifluoromethyl)benzene?
1-butyl-3-methoxy-5-(trifluoromethyl)benzene has a molecular weight of 232.25 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methoxy-5-(trifluoromethyl)benzene is sourced from PubChem (CID 123460618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).