1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene

C10H10F4 — CID 147457037

IUPAC1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene
SMILESCCc1cc(C)cc(C(F)(F)F)c1F
InChIInChI=1S/C10H10F4/c1-3-7-4-6(2)5-8(9(7)11)10(12,13)14/h4-5H,3H2,1-2H3
InChIKeyDZEMROKAOGHGHD-UHFFFAOYSA-N
MW206.18 g/mol
LogP3.72
Rot. Bonds1

About 1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene

1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene (PubChem CID 147457037) has the molecular formula C10H10F4 and a molecular weight of 206.18 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene
PubChem CID147457037
Molecular FormulaC10H10F4
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Name1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene
SMILESCCc1cc(C)cc(C(F)(F)F)c1F
InChIInChI=1S/C10H10F4/c1-3-7-4-6(2)5-8(9(7)11)10(12,13)14/h4-5H,3H2,1-2H3
InChIKeyDZEMROKAOGHGHD-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-4-methyl-1-(trifluoromethyl)benzene
CID 89088576
1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane
CID 145381877
1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135742868
1-(chloromethyl)-2,5-dimethyl-3-(trifluoromethyl)benzene
CID 171016336
5-methyl-2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-1,3-bis(trifluoromethyl)benzene
CID 21350863
5-ethyl-2-methyl-1,3-bis(trifluoromethyl)benzene
CID 135742866
2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol
CID 21416993
4-methyl-2,6-bis(trifluoromethyl)aniline
CID 58782199
1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene
CID 91883597
2-(bromomethyl)-4-methyl-6-(trifluoromethyl)benzonitrile
CID 171024870
1-butan-2-yl-4-[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]piperazine
CID 58366569
(2-tert-butyl-6-ethyl-4-methylphenyl)methanol
CID 123284303

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene (CID 147457037) is 1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene is CCc1cc(C)cc(C(F)(F)F)c1F.
What is the InChIKey of 1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene?
The InChIKey is DZEMROKAOGHGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4/c1-3-7-4-6(2)5-8(9(7)11)10(12,13)14/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene?
1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene has a molecular weight of 206.18 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-5-methyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 147457037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).