1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine

C13H11F4NO — CID 61229603

IUPAC1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1
InChIInChI=1S/C13H11F4NO/c1-18-7-9-3-5-12(19-9)8-2-4-11(14)10(6-8)13(15,16)17/h2-6,18H,7H2,1H3
InChIKeyNQARRKFVNQKVOD-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.82
Rot. Bonds3

About 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine

1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine (PubChem CID 61229603) has the molecular formula C13H11F4NO and a molecular weight of 273.23 g/mol. Its IUPAC name is 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine
PubChem CID61229603
Molecular FormulaC13H11F4NO
Molecular Weight273.23 g/mol
Exact Mass273.08
IUPAC Name1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1
InChIInChI=1S/C13H11F4NO/c1-18-7-9-3-5-12(19-9)8-2-4-11(14)10(6-8)13(15,16)17/h2-6,18H,7H2,1H3
InChIKeyNQARRKFVNQKVOD-UHFFFAOYSA-N
XLogP3.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine (CID 61229603) is 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine is CNCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)o1.
What is the InChIKey of 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is NQARRKFVNQKVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NO/c1-18-7-9-3-5-12(19-9)8-2-4-11(14)10(6-8)13(15,16)17/h2-6,18H,7H2,1H3.
What are the key properties of 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine?
1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 273.23 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 61229603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).