N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

C12H10ClF4NO — CID 103529403

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESFC(F)C(F)(F)CNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C12H10ClF4NO/c13-10-8(5-18-6-12(16,17)11(14)15)7-3-1-2-4-9(7)19-10/h1-4,11,18H,5-6H2
InChIKeySFEBVVVCWSKPNL-UHFFFAOYSA-N
MW295.66 g/mol
LogP4.08
Rot. Bonds5

About N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 103529403) has the molecular formula C12H10ClF4NO and a molecular weight of 295.66 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID103529403
Molecular FormulaC12H10ClF4NO
Molecular Weight295.66 g/mol
Exact Mass295.04
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESFC(F)C(F)(F)CNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C12H10ClF4NO/c13-10-8(5-18-6-12(16,17)11(14)15)7-3-1-2-4-9(7)19-10/h1-4,11,18H,5-6H2
InChIKeySFEBVVVCWSKPNL-UHFFFAOYSA-N
XLogP4.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.66
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 103529403) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is FC(F)C(F)(F)CNCc1c(Cl)oc2ccccc12.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is SFEBVVVCWSKPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF4NO/c13-10-8(5-18-6-12(16,17)11(14)15)7-3-1-2-4-9(7)19-10/h1-4,11,18H,5-6H2.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 295.66 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 103529403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).