1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine

C10H9ClF3NO — CID 162597193

IUPAC1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine
SMILES[H]/N=C(\C)c1ccc(Cl)c(OCC(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO/c1-6(15)7-2-3-8(11)9(4-7)16-5-10(12,13)14/h2-4,15H,5H2,1H3/b15-6+
InChIKeyURKPWAPHYAEDAC-GIDUJCDVSA-N
MW251.64 g/mol
LogP3.67
Rot. Bonds3

About 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine

1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine (PubChem CID 162597193) has the molecular formula C10H9ClF3NO and a molecular weight of 251.64 g/mol. Its IUPAC name is 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine.

Molecular Properties

Compound Name1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine
PubChem CID162597193
Molecular FormulaC10H9ClF3NO
Molecular Weight251.64 g/mol
Exact Mass251.03
IUPAC Name1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine
SMILES[H]/N=C(\C)c1ccc(Cl)c(OCC(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO/c1-6(15)7-2-3-8(11)9(4-7)16-5-10(12,13)14/h2-4,15H,5H2,1H3/b15-6+
InChIKeyURKPWAPHYAEDAC-GIDUJCDVSA-N
XLogP3.67
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-Chloro-3-propan-2-yloxyphenyl)-2-fluoroacetonitrile
CID 18408341
1-Chloro-2-ethoxy-4-(trifluoromethyl)benzene
CID 20701284
1-Chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene
CID 22261405
3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 50900739
4-Chloro-2-fluoro-5-isopropoxyphenyl acetonitrile
CID 53902070
1-Chloro-2-[(2-methylphenyl)methoxy]-4-(trifluoromethyl)benzene
CID 59483529
3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol
CID 59652416
2-[2-Chloro-5-(trifluoromethyl)-phenoxy]acetonitrile
CID 68767197
3-Allyloxy-4-chloro-benzotrifluoride
CID 68968630
Butane;1-chloro-2-methoxy-4-(2,2,2-trifluoroethoxymethyl)benzene
CID 70254612
1-Chloro-4-ethyl-2-(trifluoromethoxy)benzene
CID 70296889
1-Chloro-4-propyl-2-(trifluoromethoxy)benzene
CID 70309410

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine?
The IUPAC name of 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine (CID 162597193) is 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine.
What is the SMILES notation for 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine?
The canonical SMILES for 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine is [H]/N=C(\C)c1ccc(Cl)c(OCC(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine?
The InChIKey is URKPWAPHYAEDAC-GIDUJCDVSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c1-6(15)7-2-3-8(11)9(4-7)16-5-10(12,13)14/h2-4,15H,5H2,1H3/b15-6+.
What are the key properties of 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine?
1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine has a molecular weight of 251.64 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]ethanimine is sourced from PubChem (CID 162597193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).