2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol

C14H13F2NO — CID 107685847

IUPAC2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol
SMILESCc1cc(F)cc(NCc2ccc(O)c(F)c2)c1
InChIInChI=1S/C14H13F2NO/c1-9-4-11(15)7-12(5-9)17-8-10-2-3-14(18)13(16)6-10/h2-7,17-18H,8H2,1H3
InChIKeyZJWUYOSJGUVHAZ-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.59
Rot. Bonds3

About 2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol

2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol (PubChem CID 107685847) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol
PubChem CID107685847
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol
SMILESCc1cc(F)cc(NCc2ccc(O)c(F)c2)c1
InChIInChI=1S/C14H13F2NO/c1-9-4-11(15)7-12(5-9)17-8-10-2-3-14(18)13(16)6-10/h2-7,17-18H,8H2,1H3
InChIKeyZJWUYOSJGUVHAZ-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065
4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol
CID 107685346
[4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol
CID 110006750
2-fluoro-4-[(3-fluoro-5-nitroanilino)methyl]phenol
CID 107686116
4-[(3-bromo-4-fluoroanilino)methyl]-2-fluorophenol
CID 107686001
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178
4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol
CID 66473251
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline
CID 79055605
4-[(3-fluoro-5-methylanilino)methyl]benzamide
CID 79054394
2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol
CID 107685275

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol?
The IUPAC name of 2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol (CID 107685847) is 2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol?
The canonical SMILES for 2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol is Cc1cc(F)cc(NCc2ccc(O)c(F)c2)c1.
What is the InChIKey of 2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol?
The InChIKey is ZJWUYOSJGUVHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9-4-11(15)7-12(5-9)17-8-10-2-3-14(18)13(16)6-10/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol?
2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol has a molecular weight of 249.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol is sourced from PubChem (CID 107685847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).