2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline

C12H9ClF3NO — CID 28950697

IUPAC2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(Cl)c1NCc1ccco1
InChIInChI=1S/C12H9ClF3NO/c13-10-5-1-4-9(12(14,15)16)11(10)17-7-8-3-2-6-18-8/h1-6,17H,7H2
InChIKeyBPMLIBCWXPSLFN-UHFFFAOYSA-N
MW275.66 g/mol
LogP4.56
Rot. Bonds3

About 2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline

2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline (PubChem CID 28950697) has the molecular formula C12H9ClF3NO and a molecular weight of 275.66 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline
PubChem CID28950697
Molecular FormulaC12H9ClF3NO
Molecular Weight275.66 g/mol
Exact Mass275.03
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(Cl)c1NCc1ccco1
InChIInChI=1S/C12H9ClF3NO/c13-10-5-1-4-9(12(14,15)16)11(10)17-7-8-3-2-6-18-8/h1-6,17H,7H2
InChIKeyBPMLIBCWXPSLFN-UHFFFAOYSA-N
XLogP4.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(furan-2-ylmethyl)aniline
CID 968932
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 2516825
1-[4-Chloro-2-(furan-2-ylmethylamino)phenyl]-2,2,2-trifluoroethanol
CID 155451950
3-chloro-N-(furan-2-ylmethyl)aniline
CID 4986416
N'-(4-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 3107339
N-(4-chloro-2-methylphenyl)-N'-(2-furylmethyl)thiourea
CID 799762
o-Acetotoluidide, 6'-chloro-2-(2-furylmethyl)amino-, hydrochloride
CID 59386
4-fluoro-N-((furan-2-yl)methyl)-2-methylaniline
CID 2852805
2H-1,4-Benzodiazepin-2-one, 7-chloro-4-(2-furanylmethyl)-1,3,4,5-tetrahydro-3-methyl-, (3S)-
CID 475616
N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 669401
N-(4-Chloro-3-trifluoromethyl-phenyl)-N'-furan-2-ylmethyl-oxalamide
CID 1713292
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide
CID 2824691

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline (CID 28950697) is 2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline is FC(F)(F)c1cccc(Cl)c1NCc1ccco1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline?
The InChIKey is BPMLIBCWXPSLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NO/c13-10-5-1-4-9(12(14,15)16)11(10)17-7-8-3-2-6-18-8/h1-6,17H,7H2.
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline?
2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline has a molecular weight of 275.66 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)aniline is sourced from PubChem (CID 28950697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).