1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene

C9H7F5 — CID 19702594

IUPAC1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene
SMILESCCc1ccc(F)c(C(F)(F)F)c1F
InChIInChI=1S/C9H7F5/c1-2-5-3-4-6(10)7(8(5)11)9(12,13)14/h3-4H,2H2,1H3
InChIKeyBXEOAEQNZUOBGO-UHFFFAOYSA-N
MW210.15 g/mol
LogP3.55
Rot. Bonds1

About 1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene

1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene (PubChem CID 19702594) has the molecular formula C9H7F5 and a molecular weight of 210.15 g/mol. Its IUPAC name is 1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene
PubChem CID19702594
Molecular FormulaC9H7F5
Molecular Weight210.15 g/mol
Exact Mass210.05
IUPAC Name1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene
SMILESCCc1ccc(F)c(C(F)(F)F)c1F
InChIInChI=1S/C9H7F5/c1-2-5-3-4-6(10)7(8(5)11)9(12,13)14/h3-4H,2H2,1H3
InChIKeyBXEOAEQNZUOBGO-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-bromo-1-ethyl-2,4-difluorobenzene
CID 126670968
1,3-difluoro-4-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 155021913
4-ethyl-2-fluoro-3-(trifluoromethyl)aniline;hydrochloride
CID 68821424
1-(chloromethyl)-4-ethyl-2,3-bis(trifluoromethyl)benzene
CID 135742827
4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde
CID 166657109
2,4-difluoro-3-(trifluoromethyl)benzenethiol
CID 56604720
1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol
CID 134638791
2-tert-butyl-1-chloro-4-ethyl-3-fluorobenzene
CID 138536144
5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline
CID 177009324
1-ethyl-2-methylsulfanyl-3,4-bis(trifluoromethyl)benzene
CID 135742843
6-(bromomethyl)-3-fluoro-2-(trifluoromethyl)aniline
CID 131115755

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene?
The IUPAC name of 1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene (CID 19702594) is 1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene is CCc1ccc(F)c(C(F)(F)F)c1F.
What is the InChIKey of 1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene?
The InChIKey is BXEOAEQNZUOBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5/c1-2-5-3-4-6(10)7(8(5)11)9(12,13)14/h3-4H,2H2,1H3.
What are the key properties of 1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene?
1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene has a molecular weight of 210.15 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 19702594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).