1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene

C13H17F3O — CID 134341639

IUPAC1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene
SMILESCCCC(C)(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3O/c1-4-9-12(2,3)10-5-7-11(8-6-10)17-13(14,15)16/h5-8H,4,9H2,1-3H3
InChIKeyPHJYTQBYSHKYQW-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.66
Rot. Bonds4

About 1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene

1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene (PubChem CID 134341639) has the molecular formula C13H17F3O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene
PubChem CID134341639
Molecular FormulaC13H17F3O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene
SMILESCCCC(C)(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3O/c1-4-9-12(2,3)10-5-7-11(8-6-10)17-13(14,15)16/h5-8H,4,9H2,1-3H3
InChIKeyPHJYTQBYSHKYQW-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene;1-methyltriazole-4-carboxylic acid
CID 145365663
1-[(3S)-3-methylpent-1-en-3-yl]-4-(trifluoromethoxy)benzene
CID 169282336
1-(3-methylpent-1-en-3-yl)-4-(trifluoromethoxy)benzene
CID 170248741
1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene
CID 146530214
1-(2,3-dimethylbut-3-en-2-yl)-4-(trifluoromethoxy)benzene
CID 70222036
1-(2-isocyanatopropan-2-yl)-4-(trifluoromethoxy)benzene
CID 165460833
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
N-heptyl-4-(trifluoromethoxy)aniline
CID 43129251
1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene
CID 54046364
1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 129136157
3-[[4-(trifluoromethoxy)phenoxy]methyl]pentan-3-ol
CID 115919540
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene (CID 134341639) is 1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene is CCCC(C)(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene?
The InChIKey is PHJYTQBYSHKYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O/c1-4-9-12(2,3)10-5-7-11(8-6-10)17-13(14,15)16/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene?
1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene has a molecular weight of 246.27 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 134341639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).