1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane

C11H14ClF3O — CID 143344817

IUPAC1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane
SMILESCC.CCc1cc(Cl)cc(OC(F)(F)F)c1
InChIInChI=1S/C9H8ClF3O.C2H6/c1-2-6-3-7(10)5-8(4-6)14-9(11,12)13;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyDULKVPNSVUSETR-UHFFFAOYSA-N
MW254.68 g/mol
LogP4.83
Rot. Bonds2

About 1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane

1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane (PubChem CID 143344817) has the molecular formula C11H14ClF3O and a molecular weight of 254.68 g/mol. Its IUPAC name is 1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane.

Molecular Properties

Compound Name1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane
PubChem CID143344817
Molecular FormulaC11H14ClF3O
Molecular Weight254.68 g/mol
Exact Mass254.07
IUPAC Name1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane
SMILESCC.CCc1cc(Cl)cc(OC(F)(F)F)c1
InChIInChI=1S/C9H8ClF3O.C2H6/c1-2-6-3-7(10)5-8(4-6)14-9(11,12)13;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyDULKVPNSVUSETR-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891292
ethyl 3-[3-chloro-5-(trifluoromethoxy)phenyl]propanoate
CID 134632586
1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine
CID 130192199
2-amino-3-[3-chloro-5-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893687
1-chloro-3-iodo-5-(trifluoromethoxy)benzene
CID 148567184
1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene
CID 141132428
1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene
CID 174779911
1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene
CID 134625654
5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 56617585
2-(3-chloro-5-ethylphenoxy)acetyl chloride
CID 166063564
CID 164791139
CID 164791139
1-fluoro-3-propyl-5-(trifluoromethoxy)benzene
CID 142581036

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane?
The IUPAC name of 1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane (CID 143344817) is 1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane.
What is the SMILES notation for 1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane?
The canonical SMILES for 1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane is CC.CCc1cc(Cl)cc(OC(F)(F)F)c1.
What is the InChIKey of 1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane?
The InChIKey is DULKVPNSVUSETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O.C2H6/c1-2-6-3-7(10)5-8(4-6)14-9(11,12)13;1-2/h3-5H,2H2,1H3;1-2H3.
What are the key properties of 1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane?
1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane has a molecular weight of 254.68 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethyl-5-(trifluoromethoxy)benzene;ethane is sourced from PubChem (CID 143344817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).