1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea

C9H7ClF4N2O — CID 115584044

IUPAC1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(Cl)c1F
InChIInChI=1S/C9H7ClF4N2O/c10-5-2-1-3-6(7(5)11)16-8(17)15-4-9(12,13)14/h1-3H,4H2,(H2,15,16,17)
InChIKeyVXCNFPRKQADHJY-UHFFFAOYSA-N
MW270.61 g/mol
LogP3.16
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea

1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115584044) has the molecular formula C9H7ClF4N2O and a molecular weight of 270.61 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115584044
Molecular FormulaC9H7ClF4N2O
Molecular Weight270.61 g/mol
Exact Mass270.02
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(Cl)c1F
InChIInChI=1S/C9H7ClF4N2O/c10-5-2-1-3-6(7(5)11)16-8(17)15-4-9(12,13)14/h1-3H,4H2,(H2,15,16,17)
InChIKeyVXCNFPRKQADHJY-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.61
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 114254796
1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335599
1-(3-chloro-2-fluorophenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473330
2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115570045
1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111437548
1-(3-chloro-2-fluorophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473329
(3-chloro-2-fluorophenyl)urea
CID 28969166
1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113224209
1-(3-chloro-2-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936276
1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47032706
3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
CID 28830698
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea (CID 115584044) is 1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is VXCNFPRKQADHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF4N2O/c10-5-2-1-3-6(7(5)11)16-8(17)15-4-9(12,13)14/h1-3H,4H2,(H2,15,16,17).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea?
1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 270.61 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115584044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).