2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol

C10H12F3NO2 — CID 103948931

IUPAC2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol
SMILESOc1c(F)cccc1CNCC(O)C(F)F
InChIInChI=1S/C10H12F3NO2/c11-7-3-1-2-6(9(7)16)4-14-5-8(15)10(12)13/h1-3,8,10,14-16H,4-5H2
InChIKeyWIFSCZQEFYTWLG-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.25
Rot. Bonds5

About 2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol

2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol (PubChem CID 103948931) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol
PubChem CID103948931
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol
SMILESOc1c(F)cccc1CNCC(O)C(F)F
InChIInChI=1S/C10H12F3NO2/c11-7-3-1-2-6(9(7)16)4-14-5-8(15)10(12)13/h1-3,8,10,14-16H,4-5H2
InChIKeyWIFSCZQEFYTWLG-UHFFFAOYSA-N
XLogP1.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol
CID 115972498
2-[[(4-ethylphenyl)methylamino]methyl]-6-fluorophenol
CID 103948313
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421975
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293
2-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]-6-fluorophenol
CID 115951025
2-fluoro-6-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]phenol
CID 112606832
3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol
CID 103731573
1,1-difluoro-3-[(2-methyl-3-nitrophenyl)methylamino]propan-2-ol
CID 114093427
2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol
CID 112606368
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
CID 60922653
2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
CID 112606435
2-fluoro-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol
CID 103948161

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol?
The IUPAC name of 2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol (CID 103948931) is 2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol.
What is the SMILES notation for 2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol?
The canonical SMILES for 2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol is Oc1c(F)cccc1CNCC(O)C(F)F.
What is the InChIKey of 2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol?
The InChIKey is WIFSCZQEFYTWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c11-7-3-1-2-6(9(7)16)4-14-5-8(15)10(12)13/h1-3,8,10,14-16H,4-5H2.
What are the key properties of 2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol?
2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol has a molecular weight of 235.20 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol is sourced from PubChem (CID 103948931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).