1-pentan-2-yloxy-3-(trifluoromethyl)benzene

C12H15F3O — CID 54046925

IUPAC1-pentan-2-yloxy-3-(trifluoromethyl)benzene
SMILESCCCC(C)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O/c1-3-5-9(2)16-11-7-4-6-10(8-11)12(13,14)15/h4,6-9H,3,5H2,1-2H3
InChIKeyMPQCEALGXYDUOC-UHFFFAOYSA-N
MW232.24 g/mol
LogP4.27
Rot. Bonds4

About 1-pentan-2-yloxy-3-(trifluoromethyl)benzene

1-pentan-2-yloxy-3-(trifluoromethyl)benzene (PubChem CID 54046925) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-pentan-2-yloxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-pentan-2-yloxy-3-(trifluoromethyl)benzene
PubChem CID54046925
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name1-pentan-2-yloxy-3-(trifluoromethyl)benzene
SMILESCCCC(C)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O/c1-3-5-9(2)16-11-7-4-6-10(8-11)12(13,14)15/h4,6-9H,3,5H2,1-2H3
InChIKeyMPQCEALGXYDUOC-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62456493
N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 62597829
(1S)-1-(3-pentan-2-yloxyphenyl)ethanol
CID 107892276
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate
CID 67675380
3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258
2-[3-(trifluoromethyl)phenoxy]butanenitrile
CID 55207608
N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62456852
N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62457234

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yloxy-3-(trifluoromethyl)benzene?
The IUPAC name of 1-pentan-2-yloxy-3-(trifluoromethyl)benzene (CID 54046925) is 1-pentan-2-yloxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-pentan-2-yloxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-pentan-2-yloxy-3-(trifluoromethyl)benzene is CCCC(C)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-pentan-2-yloxy-3-(trifluoromethyl)benzene?
The InChIKey is MPQCEALGXYDUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-3-5-9(2)16-11-7-4-6-10(8-11)12(13,14)15/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 1-pentan-2-yloxy-3-(trifluoromethyl)benzene?
1-pentan-2-yloxy-3-(trifluoromethyl)benzene has a molecular weight of 232.24 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yloxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 54046925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).