2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol

C13H10ClF2NO — CID 69010950

IUPAC2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
SMILESOc1c(F)cccc1NCc1c(F)cccc1Cl
InChIInChI=1S/C13H10ClF2NO/c14-9-3-1-4-10(15)8(9)7-17-12-6-2-5-11(16)13(12)18/h1-6,17-18H,7H2
InChIKeyYQQXXZALSCARRO-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.94
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol

2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol (PubChem CID 69010950) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
PubChem CID69010950
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
SMILESOc1c(F)cccc1NCc1c(F)cccc1Cl
InChIInChI=1S/C13H10ClF2NO/c14-9-3-1-4-10(15)8(9)7-17-12-6-2-5-11(16)13(12)18/h1-6,17-18H,7H2
InChIKeyYQQXXZALSCARRO-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580270
4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol
CID 106953996
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-2-methylaniline
CID 114256870
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
3-[(2-chloro-6-fluorophenyl)methylamino]phenol
CID 28722844
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320
2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 30051961
2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231940
2-fluoro-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43763353
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate
CID 43735543
4-[(2-chloro-6-fluorophenyl)methylamino]-1-methylpyrazole-5-carboxylic acid
CID 19624725

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol (CID 69010950) is 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol is Oc1c(F)cccc1NCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol?
The InChIKey is YQQXXZALSCARRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-9-3-1-4-10(15)8(9)7-17-12-6-2-5-11(16)13(12)18/h1-6,17-18H,7H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol?
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol has a molecular weight of 269.68 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol is sourced from PubChem (CID 69010950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).