N-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine

C7H7ClF3NO — CID 106684672

IUPACN-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1ccoc1Cl
InChIInChI=1S/C7H7ClF3NO/c8-6-5(1-2-13-6)3-12-4-7(9,10)11/h1-2,12H,3-4H2
InChIKeyCECGTILWRIKPQK-UHFFFAOYSA-N
MW213.59 g/mol
LogP2.58
Rot. Bonds3

About N-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine

N-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 106684672) has the molecular formula C7H7ClF3NO and a molecular weight of 213.59 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID106684672
Molecular FormulaC7H7ClF3NO
Molecular Weight213.59 g/mol
Exact Mass213.02
IUPAC NameN-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1ccoc1Cl
InChIInChI=1S/C7H7ClF3NO/c8-6-5(1-2-13-6)3-12-4-7(9,10)11/h1-2,12H,3-4H2
InChIKeyCECGTILWRIKPQK-UHFFFAOYSA-N
XLogP2.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine (CID 106684672) is N-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1ccoc1Cl.
What is the InChIKey of N-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is CECGTILWRIKPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3NO/c8-6-5(1-2-13-6)3-12-4-7(9,10)11/h1-2,12H,3-4H2.
What are the key properties of N-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 213.59 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 106684672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).