1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol

C9H13F6NO2 — CID 3669976

IUPAC1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol
SMILESC=CCN(CC(O)C(F)(F)F)CC(O)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c1-2-3-16(4-6(17)8(10,11)12)5-7(18)9(13,14)15/h2,6-7,17-18H,1,3-5H2
InChIKeySNLYGIQVHQRXCK-UHFFFAOYSA-N
MW281.20 g/mol
LogP1.32
Rot. Bonds6

About 1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol

1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol (PubChem CID 3669976) has the molecular formula C9H13F6NO2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol
PubChem CID3669976
Molecular FormulaC9H13F6NO2
Molecular Weight281.20 g/mol
Exact Mass281.09
IUPAC Name1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol
SMILESC=CCN(CC(O)C(F)(F)F)CC(O)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c1-2-3-16(4-6(17)8(10,11)12)5-7(18)9(13,14)15/h2,6-7,17-18H,1,3-5H2
InChIKeySNLYGIQVHQRXCK-UHFFFAOYSA-N
XLogP1.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1,1,1-trifluoro-3-[prop-2-enyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]propan-2-ol
CID 40558940
(2R)-1,1,1-trifluoro-3-[prop-2-enyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]propan-2-ol
CID 40558942
(2R)-1,1,1-trifluoro-3-[prop-2-enyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]propan-2-ol
CID 40558944
1,1,1-Trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
CID 104709042
3-(2,5-Dihydropyrrol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 105649099
3-(2,5-Dihydropyrrol-1-yl)-1,1-difluoropropan-2-ol
CID 105649182
(2S)-3-[prop-2-enyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111976136
2-[Prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 115631860
2-[2,2-Difluoroethyl(prop-2-enyl)amino]ethanol
CID 115631933
2-[Prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol
CID 115633472
2-[Prop-2-enyl(3,3,3-trifluoropropyl)amino]ethanol
CID 115644305
2-[Prop-2-enyl-[2-(trifluoromethoxy)ethyl]amino]ethanol
CID 116301459

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol (CID 3669976) is 1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol is C=CCN(CC(O)C(F)(F)F)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is SNLYGIQVHQRXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO2/c1-2-3-16(4-6(17)8(10,11)12)5-7(18)9(13,14)15/h2,6-7,17-18H,1,3-5H2.
What are the key properties of 1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 281.20 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[prop-2-enyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 3669976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).