1-(difluoroamino)-3-phenylpropan-2-ol

C9H11F2NO — CID 154374279

IUPAC1-(difluoroamino)-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)CN(F)F
InChIInChI=1S/C9H11F2NO/c10-12(11)7-9(13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2
InChIKeyWDOHJYKLMRMGIG-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.66
Rot. Bonds4

About 1-(difluoroamino)-3-phenylpropan-2-ol

1-(difluoroamino)-3-phenylpropan-2-ol (PubChem CID 154374279) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(difluoroamino)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(difluoroamino)-3-phenylpropan-2-ol
PubChem CID154374279
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(difluoroamino)-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)CN(F)F
InChIInChI=1S/C9H11F2NO/c10-12(11)7-9(13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2
InChIKeyWDOHJYKLMRMGIG-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenylethanolamine
CID 1000
1-Phenyl-2-propanol
CID 94185
1-Phenyl-2-butanol
CID 92833
1-Phenyl-2-propanol, (-)-
CID 5324631
(R)-(-)-2-Amino-1-phenylethanol
CID 6951165
(1S)-2-amino-1-phenylethan-1-ol
CID 643217
(2R)-1-phenylbutan-2-ol
CID 7003733
Alpha-((diethylamino)methyl)phenethyl alcohol
CID 411826
1-(Methylamino)-3-phenylpropan-2-ol
CID 3047196
3-Phenyllactonitrile
CID 291037
1-Amino-3-phenylpropan-2-ol
CID 3758046
(2S)-1-phenylbutan-2-ol
CID 5325533

Frequently Asked Questions

What is the IUPAC name of 1-(difluoroamino)-3-phenylpropan-2-ol?
The IUPAC name of 1-(difluoroamino)-3-phenylpropan-2-ol (CID 154374279) is 1-(difluoroamino)-3-phenylpropan-2-ol.
What is the SMILES notation for 1-(difluoroamino)-3-phenylpropan-2-ol?
The canonical SMILES for 1-(difluoroamino)-3-phenylpropan-2-ol is OC(Cc1ccccc1)CN(F)F.
What is the InChIKey of 1-(difluoroamino)-3-phenylpropan-2-ol?
The InChIKey is WDOHJYKLMRMGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c10-12(11)7-9(13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2.
What are the key properties of 1-(difluoroamino)-3-phenylpropan-2-ol?
1-(difluoroamino)-3-phenylpropan-2-ol has a molecular weight of 187.19 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoroamino)-3-phenylpropan-2-ol is sourced from PubChem (CID 154374279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).