ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene

C11H14F4O — CID 143588899

IUPACethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene
SMILESCC.CCc1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C9H8F4O.C2H6/c1-2-6-3-4-7(10)8(5-6)14-9(11,12)13;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyNLUWNAGNNULSFA-UHFFFAOYSA-N
MW238.22 g/mol
LogP4.31
Rot. Bonds2

About ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene

ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene (PubChem CID 143588899) has the molecular formula C11H14F4O and a molecular weight of 238.22 g/mol. Its IUPAC name is ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Nameethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene
PubChem CID143588899
Molecular FormulaC11H14F4O
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Nameethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene
SMILESCC.CCc1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C9H8F4O.C2H6/c1-2-6-3-4-7(10)8(5-6)14-9(11,12)13;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyNLUWNAGNNULSFA-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene
CID 71232413
1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine
CID 70907082
1-fluoro-4-(2-methylbutyl)-2-(trifluoromethoxy)benzene
CID 70852240
1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891288
3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine
CID 170878567
4-(3-chloropropyl)-1-fluoro-2-(trifluoromethoxy)benzene
CID 118818887
1-[4-ethyl-2-(trifluoromethoxy)phenyl]ethanone
CID 170909582
2-(chloromethyl)-4-ethyl-1-(trifluoromethoxy)benzene
CID 170998699
2-[4-fluoro-3-(trifluoromethoxy)phenyl]acetic acid;methyl 2-[4-fluoro-3-(trifluoromethoxy)phenyl]acetate
CID 158311661
1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 123833545
1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2-(trifluoromethoxy)benzene
CID 158134110
5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 56617585

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene?
The IUPAC name of ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene (CID 143588899) is ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene?
The canonical SMILES for ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene is CC.CCc1ccc(F)c(OC(F)(F)F)c1.
What is the InChIKey of ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene?
The InChIKey is NLUWNAGNNULSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O.C2H6/c1-2-6-3-4-7(10)8(5-6)14-9(11,12)13;1-2/h3-5H,2H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene?
ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene has a molecular weight of 238.22 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 143588899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).