3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol

C11H15F2NO2 — CID 116789164

IUPAC3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol
SMILESOCC(O)CNCC(F)(F)c1ccccc1
InChIInChI=1S/C11H15F2NO2/c12-11(13,8-14-6-10(16)7-15)9-4-2-1-3-5-9/h1-5,10,14-16H,6-8H2
InChIKeyPOLRUUGYQNURMJ-UHFFFAOYSA-N
MW231.24 g/mol
LogP0.72
Rot. Bonds6

About 3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol

3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol (PubChem CID 116789164) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol
PubChem CID116789164
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol
SMILESOCC(O)CNCC(F)(F)c1ccccc1
InChIInChI=1S/C11H15F2NO2/c12-11(13,8-14-6-10(16)7-15)9-4-2-1-3-5-9/h1-5,10,14-16H,6-8H2
InChIKeyPOLRUUGYQNURMJ-UHFFFAOYSA-N
XLogP0.72
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine
CID 116789342
2-chloro-N-(2,2-difluoro-2-phenylethyl)butan-1-amine
CID 116790612
2-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethylpentan-1-amine
CID 106286047
2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol
CID 114332065
3-[2-[(2,2-difluoro-2-phenylethyl)amino]ethylsulfanyl]propan-1-ol
CID 114171865
N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine
CID 107820052
3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol
CID 115122512
(2,2-difluoro-2-phenylethyl)hydrazine
CID 116788671
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122528
1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol
CID 107151998
3-[(2,2-difluoro-2-phenylethyl)amino]butan-1-ol
CID 116789257
2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol
CID 116788835

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol?
The IUPAC name of 3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol (CID 116789164) is 3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol is OCC(O)CNCC(F)(F)c1ccccc1.
What is the InChIKey of 3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol?
The InChIKey is POLRUUGYQNURMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c12-11(13,8-14-6-10(16)7-15)9-4-2-1-3-5-9/h1-5,10,14-16H,6-8H2.
What are the key properties of 3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol?
3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol has a molecular weight of 231.24 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol is sourced from PubChem (CID 116789164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).