4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane

C11H14ClF3 — CID 144850606

IUPAC4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
SMILESCC.CCc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C9H8ClF3.C2H6/c1-2-6-5-7(10)3-4-8(6)9(11,12)13;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeySAHSSFMJTMTBOV-UHFFFAOYSA-N
MW238.68 g/mol
LogP4.95
Rot. Bonds1

About 4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane

4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane (PubChem CID 144850606) has the molecular formula C11H14ClF3 and a molecular weight of 238.68 g/mol. Its IUPAC name is 4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane.

Molecular Properties

Compound Name4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
PubChem CID144850606
Molecular FormulaC11H14ClF3
Molecular Weight238.68 g/mol
Exact Mass238.07
IUPAC Name4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
SMILESCC.CCc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C9H8ClF3.C2H6/c1-2-6-5-7(10)3-4-8(6)9(11,12)13;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeySAHSSFMJTMTBOV-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethyl 2-[5-chloro-2-(trifluoromethyl)phenyl]acetate
CID 66765121
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene
CID 118359594
4-chloro-1-(3-chloropentan-3-yl)-2-ethylbenzene
CID 141150253
2-ethyl-4-methyl-1-(trifluoromethyl)benzene
CID 89088576
ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 177155724
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 167531090
2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 156849362
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 167531092
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidine;ethane
CID 145319280
3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene
CID 176694271

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane?
The IUPAC name of 4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane (CID 144850606) is 4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane.
What is the SMILES notation for 4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane?
The canonical SMILES for 4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane is CC.CCc1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane?
The InChIKey is SAHSSFMJTMTBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3.C2H6/c1-2-6-5-7(10)3-4-8(6)9(11,12)13;1-2/h3-5H,2H2,1H3;1-2H3.
What are the key properties of 4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane?
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane has a molecular weight of 238.68 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane is sourced from PubChem (CID 144850606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).