N-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine

C12H11ClFNO — CID 114750019

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
SMILESFc1cc(Cl)ccc1CNCc1ccoc1
InChIInChI=1S/C12H11ClFNO/c13-11-2-1-10(12(14)5-11)7-15-6-9-3-4-16-8-9/h1-5,8,15H,6-7H2
InChIKeyNFIVUVIPSAYDNO-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.36
Rot. Bonds4

About N-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine

N-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine (PubChem CID 114750019) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
PubChem CID114750019
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
SMILESFc1cc(Cl)ccc1CNCc1ccoc1
InChIInChI=1S/C12H11ClFNO/c13-11-2-1-10(12(14)5-11)7-15-6-9-3-4-16-8-9/h1-5,8,15H,6-7H2
InChIKeyNFIVUVIPSAYDNO-UHFFFAOYSA-N
XLogP3.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine (CID 114750019) is N-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine is Fc1cc(Cl)ccc1CNCc1ccoc1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine?
The InChIKey is NFIVUVIPSAYDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c13-11-2-1-10(12(14)5-11)7-15-6-9-3-4-16-8-9/h1-5,8,15H,6-7H2.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine?
N-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine has a molecular weight of 239.68 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-1-(furan-3-yl)methanamine is sourced from PubChem (CID 114750019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).