4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene

C13H16F4 — CID 163781390

IUPAC4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene
SMILESCC(C)C(C)Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F4/c1-8(2)9(3)6-10-4-5-12(14)11(7-10)13(15,16)17/h4-5,7-9H,6H2,1-3H3
InChIKeyMOWNYFVHXBBRCQ-UHFFFAOYSA-N
MW248.26 g/mol
LogP4.68
Rot. Bonds3

About 4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene

4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene (PubChem CID 163781390) has the molecular formula C13H16F4 and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene
PubChem CID163781390
Molecular FormulaC13H16F4
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene
SMILESCC(C)C(C)Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F4/c1-8(2)9(3)6-10-4-5-12(14)11(7-10)13(15,16)17/h4-5,7-9H,6H2,1-3H3
InChIKeyMOWNYFVHXBBRCQ-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 107290244
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
1-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 67073311
2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene
CID 139403851
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 104588155
ethyl 2-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 79019964
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 59545613
2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 104513169
1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene
CID 71056767
[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite
CID 144961841
3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol
CID 143164725

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene (CID 163781390) is 4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene is CC(C)C(C)Cc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is MOWNYFVHXBBRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4/c1-8(2)9(3)6-10-4-5-12(14)11(7-10)13(15,16)17/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene?
4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene has a molecular weight of 248.26 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 163781390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).