2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol

C9H16F3NO — CID 138512249

IUPAC2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol
SMILESCCC[C@H]1C[C@@H]1N(C)C(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-3-4-6-5-7(6)13(2)8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t6-,7-,8?/m0/s1
InChIKeyUGBUNPBDMIXNDV-WPZUCAASSA-N
MW211.23 g/mol
LogP1.99
Rot. Bonds4

About 2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol

2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol (PubChem CID 138512249) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol
PubChem CID138512249
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol
SMILESCCC[C@H]1C[C@@H]1N(C)C(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-3-4-6-5-7(6)13(2)8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t6-,7-,8?/m0/s1
InChIKeyUGBUNPBDMIXNDV-WPZUCAASSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol
CID 67851644
3-[1-Cyclopropylethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900191
1,1,1-Trifluoro-3-[(2-methylcyclopropyl)methyl-propan-2-ylamino]propan-2-ol
CID 75507576
2-[2-Cyclopropylethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864995
2-[4-Methylpentyl(2,2,2-trifluoroethyl)amino]ethanol
CID 106547721
2-[2,2-Difluoroethyl(4-methylpentyl)amino]ethanol
CID 107485138
2-[2-Cyclopropylethyl(2,2-difluoroethyl)amino]ethanol
CID 107485229
2-[2,2-Difluoroethyl(2-methylpentyl)amino]ethanol
CID 107485271
2-[2-Methylpentyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485810
3-[2-Methylpentyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 115903902
2-[Methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol
CID 89249130
1-[Methyl-[2-(2-methylpropyl)cyclopropyl]amino]ethanol
CID 89249132

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol (CID 138512249) is 2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol is CCC[C@H]1C[C@@H]1N(C)C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol?
The InChIKey is UGBUNPBDMIXNDV-WPZUCAASSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-3-4-6-5-7(6)13(2)8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t6-,7-,8?/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol?
2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol has a molecular weight of 211.23 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[methyl-[(1S,2S)-2-propylcyclopropyl]amino]ethanol is sourced from PubChem (CID 138512249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).