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

C11H14ClF3 — CID 144611727

IUPAC2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane
SMILESCC.CCc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8ClF3.C2H6/c1-2-6-3-4-7(5-8(6)10)9(11,12)13;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyRFWLYZLOSUUGBG-UHFFFAOYSA-N
MW238.68 g/mol
LogP4.95
Rot. Bonds1

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

2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane (PubChem CID 144611727) has the molecular formula C11H14ClF3 and a molecular weight of 238.68 g/mol. Its IUPAC name is 2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane.

Molecular Properties

Compound Name2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane
PubChem CID144611727
Molecular FormulaC11H14ClF3
Molecular Weight238.68 g/mol
Exact Mass238.07
IUPAC Name2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane
SMILESCC.CCc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8ClF3.C2H6/c1-2-6-3-4-7(5-8(6)10)9(11,12)13;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyRFWLYZLOSUUGBG-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-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoic acid
CID 2781729
2-(3-chloro-4-ethylphenyl)-2-methylpropan-1-amine
CID 105424639
2-ethyl-5-(trifluoromethyl)benzonitrile
CID 66612776
2-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]aniline;ethane
CID 144833057
2-chloro-N-[(2-ethylphenyl)methyl]-4-(trifluoromethyl)aniline
CID 63442300
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
(2R)-2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate
CID 6933471
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]acetic acid
CID 84698117
N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 167981659
4-bromo-N,N-bis[[2-chloro-4-(trifluoromethyl)phenyl]methyl]aniline
CID 171614624
2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol
CID 105425063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane?
The IUPAC name of 2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane (CID 144611727) is 2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane.
What is the SMILES notation for 2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane?
The canonical SMILES for 2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane is CC.CCc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane?
The InChIKey is RFWLYZLOSUUGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3.C2H6/c1-2-6-3-4-7(5-8(6)10)9(11,12)13;1-2/h3-5H,2H2,1H3;1-2H3.
What are the key properties of 2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane?
2-chloro-1-ethyl-4-(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 2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane is sourced from PubChem (CID 144611727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).