2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol

C14H13F2NO — CID 112616216

IUPAC2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
SMILESCN(Cc1cccc(F)c1O)c1cccc(F)c1
InChIInChI=1S/C14H13F2NO/c1-17(12-6-3-5-11(15)8-12)9-10-4-2-7-13(16)14(10)18/h2-8,18H,9H2,1H3
InChIKeyLLZYFYCJUMFXDY-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.31
Rot. Bonds3

About 2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol

2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol (PubChem CID 112616216) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
PubChem CID112616216
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
SMILESCN(Cc1cccc(F)c1O)c1cccc(F)c1
InChIInChI=1S/C14H13F2NO/c1-17(12-6-3-5-11(15)8-12)9-10-4-2-7-13(16)14(10)18/h2-8,18H,9H2,1H3
InChIKeyLLZYFYCJUMFXDY-UHFFFAOYSA-N
XLogP3.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(3-fluoro-N-methylanilino)methyl]-6-methylphenol
CID 112621834
2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
CID 112616193
methyl 2-[(3-fluoro-N-methylanilino)methyl]benzoate
CID 82969804
3-chloro-2-[(3-fluoro-N-methylanilino)methyl]phenol
CID 82978191
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
CID 107458548
3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62461622
2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol
CID 112616072
2-[(N-ethylanilino)methyl]-6-fluorophenol
CID 112616054
3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine
CID 39247780
4-[(3-fluoro-N-methylanilino)methyl]-3-methylbenzoic acid
CID 114485468
5-fluoro-2-[(3-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76994464
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol?
The IUPAC name of 2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol (CID 112616216) is 2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol is CN(Cc1cccc(F)c1O)c1cccc(F)c1.
What is the InChIKey of 2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol?
The InChIKey is LLZYFYCJUMFXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-17(12-6-3-5-11(15)8-12)9-10-4-2-7-13(16)14(10)18/h2-8,18H,9H2,1H3.
What are the key properties of 2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol?
2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol has a molecular weight of 249.26 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol is sourced from PubChem (CID 112616216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).