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

C13H11ClF3NO — CID 28548305

IUPAC4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1ccc(CNc2ccc(Cl)cc2C(F)(F)F)o1
InChIInChI=1S/C13H11ClF3NO/c1-8-2-4-10(19-8)7-18-12-5-3-9(14)6-11(12)13(15,16)17/h2-6,18H,7H2,1H3
InChIKeyMWTDOSCHRSNJKU-UHFFFAOYSA-N
MW289.68 g/mol
LogP4.87
Rot. Bonds3

About 4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline

4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 28548305) has the molecular formula C13H11ClF3NO and a molecular weight of 289.68 g/mol. Its IUPAC name is 4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID28548305
Molecular FormulaC13H11ClF3NO
Molecular Weight289.68 g/mol
Exact Mass289.05
IUPAC Name4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1ccc(CNc2ccc(Cl)cc2C(F)(F)F)o1
InChIInChI=1S/C13H11ClF3NO/c1-8-2-4-10(19-8)7-18-12-5-3-9(14)6-11(12)13(15,16)17/h2-6,18H,7H2,1H3
InChIKeyMWTDOSCHRSNJKU-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline (CID 28548305) is 4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline is Cc1ccc(CNc2ccc(Cl)cc2C(F)(F)F)o1.
What is the InChIKey of 4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is MWTDOSCHRSNJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NO/c1-8-2-4-10(19-8)7-18-12-5-3-9(14)6-11(12)13(15,16)17/h2-6,18H,7H2,1H3.
What are the key properties of 4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline?
4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(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 4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 28548305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).