2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline

C14H13ClF3NO — CID 43121826

IUPAC2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline
SMILESCc1ccc(C(C)Nc2c(Cl)cccc2C(F)(F)F)o1
InChIInChI=1S/C14H13ClF3NO/c1-8-6-7-12(20-8)9(2)19-13-10(14(16,17)18)4-3-5-11(13)15/h3-7,9,19H,1-2H3
InChIKeyBJMHDCZDMZMFCW-UHFFFAOYSA-N
MW303.71 g/mol
LogP5.43
Rot. Bonds3

About 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline

2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline (PubChem CID 43121826) has the molecular formula C14H13ClF3NO and a molecular weight of 303.71 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline
PubChem CID43121826
Molecular FormulaC14H13ClF3NO
Molecular Weight303.71 g/mol
Exact Mass303.06
IUPAC Name2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline
SMILESCc1ccc(C(C)Nc2c(Cl)cccc2C(F)(F)F)o1
InChIInChI=1S/C14H13ClF3NO/c1-8-6-7-12(20-8)9(2)19-13-10(14(16,17)18)4-3-5-11(13)15/h3-7,9,19H,1-2H3
InChIKeyBJMHDCZDMZMFCW-UHFFFAOYSA-N
XLogP5.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.71
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline (CID 43121826) is 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline is Cc1ccc(C(C)Nc2c(Cl)cccc2C(F)(F)F)o1.
What is the InChIKey of 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline?
The InChIKey is BJMHDCZDMZMFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NO/c1-8-6-7-12(20-8)9(2)19-13-10(14(16,17)18)4-3-5-11(13)15/h3-7,9,19H,1-2H3.
What are the key properties of 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline?
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline has a molecular weight of 303.71 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-6-(trifluoromethyl)aniline is sourced from PubChem (CID 43121826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).