[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol

C13H14FNO2 — CID 61422701

IUPAC[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol
SMILESCN(Cc1ccoc1)c1ccc(CO)cc1F
InChIInChI=1S/C13H14FNO2/c1-15(7-11-4-5-17-9-11)13-3-2-10(8-16)6-12(13)14/h2-6,9,16H,7-8H2,1H3
InChIKeyMFVZTZNYCWGAOO-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.55
Rot. Bonds4

About [3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol

[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol (PubChem CID 61422701) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is [3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol
PubChem CID61422701
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol
SMILESCN(Cc1ccoc1)c1ccc(CO)cc1F
InChIInChI=1S/C13H14FNO2/c1-15(7-11-4-5-17-9-11)13-3-2-10(8-16)6-12(13)14/h2-6,9,16H,7-8H2,1H3
InChIKeyMFVZTZNYCWGAOO-UHFFFAOYSA-N
XLogP2.55
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol (CID 61422701) is [3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol is CN(Cc1ccoc1)c1ccc(CO)cc1F.
What is the InChIKey of [3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol?
The InChIKey is MFVZTZNYCWGAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-15(7-11-4-5-17-9-11)13-3-2-10(8-16)6-12(13)14/h2-6,9,16H,7-8H2,1H3.
What are the key properties of [3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol?
[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol has a molecular weight of 235.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]methanol is sourced from PubChem (CID 61422701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).