2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline

C13H11ClF3NO — CID 28950691

IUPAC2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline
SMILESCc1ccc(CNc2c(Cl)cccc2C(F)(F)F)o1
InChIInChI=1S/C13H11ClF3NO/c1-8-5-6-9(19-8)7-18-12-10(13(15,16)17)3-2-4-11(12)14/h2-6,18H,7H2,1H3
InChIKeySAEJPFNOKIODSW-UHFFFAOYSA-N
MW289.68 g/mol
LogP4.87
Rot. Bonds3

About 2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline

2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline (PubChem CID 28950691) has the molecular formula C13H11ClF3NO and a molecular weight of 289.68 g/mol. Its IUPAC name is 2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline
PubChem CID28950691
Molecular FormulaC13H11ClF3NO
Molecular Weight289.68 g/mol
Exact Mass289.05
IUPAC Name2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline
SMILESCc1ccc(CNc2c(Cl)cccc2C(F)(F)F)o1
InChIInChI=1S/C13H11ClF3NO/c1-8-5-6-9(19-8)7-18-12-10(13(15,16)17)3-2-4-11(12)14/h2-6,18H,7H2,1H3
InChIKeySAEJPFNOKIODSW-UHFFFAOYSA-N
XLogP4.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.68
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)-N-[[5-[[2-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline
CID 155556609
N'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 3107339
N-[(5-{[butyl(ethyl)amino]methyl}-2-furyl)methyl]-N'-(2-chloro-4-methylphenyl)thiourea
CID 4571217
o-Acetotoluidide, 6'-chloro-2-(2-furylmethyl)amino-, hydrochloride
CID 59386
4-fluoro-N-((furan-2-yl)methyl)-2-methylaniline
CID 2852805
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)acetamide
CID 108996283
N-(2-furylmethyl)-2-trifluoromethylaniline
CID 12032354
N-(5-methyl-2-furylmethyl)-2-trifluoromethylaniline
CID 12032355
N-(2-chloro-4,6-dimethylphenyl)furan-2-carboxamide
CID 731667
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 1245061
Urea, 1-(4-chloro-2-trifluoromethylphenyl)-3-furan-2-ylmethyl-
CID 4639648
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(furan-2-ylmethyl)oxamide
CID 20109332

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline (CID 28950691) is 2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline is Cc1ccc(CNc2c(Cl)cccc2C(F)(F)F)o1.
What is the InChIKey of 2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline?
The InChIKey is SAEJPFNOKIODSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NO/c1-8-5-6-9(19-8)7-18-12-10(13(15,16)17)3-2-4-11(12)14/h2-6,18H,7H2,1H3.
What are the key properties of 2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline?
2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline has a molecular weight of 289.68 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methylfuran-2-yl)methyl]-6-(trifluoromethyl)aniline is sourced from PubChem (CID 28950691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).