1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol

C4H5F6NO — CID 174494123

IUPAC1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol
SMILESCNC(F)(F)C(O)(F)C(F)(F)F
InChIInChI=1S/C4H5F6NO/c1-11-4(9,10)2(5,12)3(6,7)8/h11-12H,1H3
InChIKeyFRBLZZYRMKIBDT-UHFFFAOYSA-N
MW197.08 g/mol
LogP1.02
Rot. Bonds2

About 1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol

1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol (PubChem CID 174494123) has the molecular formula C4H5F6NO and a molecular weight of 197.08 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol
PubChem CID174494123
Molecular FormulaC4H5F6NO
Molecular Weight197.08 g/mol
Exact Mass197.03
IUPAC Name1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol
SMILESCNC(F)(F)C(O)(F)C(F)(F)F
InChIInChI=1S/C4H5F6NO/c1-11-4(9,10)2(5,12)3(6,7)8/h11-12H,1H3
InChIKeyFRBLZZYRMKIBDT-UHFFFAOYSA-N
XLogP1.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.08
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,2-pentafluoro-N-methylethanamine
CID 23236127
1,1,2,2-tetrafluoro-N,N'-dimethylethane-1,2-diamine
CID 87847662
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-N,9-dimethyldecan-1-amine
CID 87786735
1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine
CID 87847871
methylaminomethanetriol;dihydrochloride
CID 166068636
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-hentetracontafluoroicosan-2-ol
CID 139882663
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecan-2-ol
CID 141075159
1,1,1,2,3,3-hexafluoro-N-methylbutan-2-amine
CID 170343453
1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol
CID 87660779
N,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylamino)propyl]octanamide
CID 162538905
1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol
CID 167694152
1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol;tetramethylazanium
CID 175151132

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol (CID 174494123) is 1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol is CNC(F)(F)C(O)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol?
The InChIKey is FRBLZZYRMKIBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F6NO/c1-11-4(9,10)2(5,12)3(6,7)8/h11-12H,1H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol?
1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol has a molecular weight of 197.08 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-(methylamino)propan-2-ol is sourced from PubChem (CID 174494123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).