1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene

C9H8F4 — CID 129042451

IUPAC1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene
SMILESCc1c(CF)cccc1C(F)(F)F
InChIInChI=1S/C9H8F4/c1-6-7(5-10)3-2-4-8(6)9(11,12)13/h2-4H,5H2,1H3
InChIKeyBQDQQRQOELLRKD-UHFFFAOYSA-N
MW192.15 g/mol
LogP3.48
Rot. Bonds1

About 1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene

1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene (PubChem CID 129042451) has the molecular formula C9H8F4 and a molecular weight of 192.15 g/mol. Its IUPAC name is 1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene
PubChem CID129042451
Molecular FormulaC9H8F4
Molecular Weight192.15 g/mol
Exact Mass192.06
IUPAC Name1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene
SMILESCc1c(CF)cccc1C(F)(F)F
InChIInChI=1S/C9H8F4/c1-6-7(5-10)3-2-4-8(6)9(11,12)13/h2-4H,5H2,1H3
InChIKeyBQDQQRQOELLRKD-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
CID 155749063
2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 19704221
1-(fluoromethyl)-2,3-dimethylbenzene
CID 15724442
1-[difluoro(iodo)methyl]-2-methyl-3-(trifluoromethyl)benzene
CID 129042574
1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene
CID 91883597
2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene
CID 176961443
4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3,5-diamine
CID 71271222
N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169474051
N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
2-(2-hydroxypropyl)-6-(trifluoromethyl)phenol
CID 117313740

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene (CID 129042451) is 1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene is Cc1c(CF)cccc1C(F)(F)F.
What is the InChIKey of 1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene?
The InChIKey is BQDQQRQOELLRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4/c1-6-7(5-10)3-2-4-8(6)9(11,12)13/h2-4H,5H2,1H3.
What are the key properties of 1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene?
1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene has a molecular weight of 192.15 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 129042451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).