[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol

C9H17F3N2O — CID 112624334

IUPAC[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol
SMILESCC(N)C(N1CCC(CO)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(13)8(9(10,11)12)14-3-2-7(4-14)5-15/h6-8,15H,2-5,13H2,1H3
InChIKeyQTBAHCHLSRBUCN-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.58
Rot. Bonds3

About [1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol

[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 112624334) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is [1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol
PubChem CID112624334
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol
SMILESCC(N)C(N1CCC(CO)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(13)8(9(10,11)12)14-3-2-7(4-14)5-15/h6-8,15H,2-5,13H2,1H3
InChIKeyQTBAHCHLSRBUCN-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol
CID 71921429
(2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol
CID 66837420
4-Amino-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 117706288
[3-Amino-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-yl]methanol
CID 117706300
[3-Amino-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]methanol
CID 117709647
1-(3,3-Difluoropyrrolidin-1-yl)-2-(methoxymethylamino)-3-methylbutan-1-ol
CID 123726990
Ethane;[4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 141826036
Ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane
CID 143016284
2-methyl-1-[[(3S)-pyrrolidin-3-yl]-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 171505326
N-(oxolan-3-ylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55090261
[1-Propan-2-yl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol
CID 61979182
[1-Methyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol
CID 62976053

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol (CID 112624334) is [1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol is CC(N)C(N1CCC(CO)C1)C(F)(F)F.
What is the InChIKey of [1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is QTBAHCHLSRBUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6(13)8(9(10,11)12)14-3-2-7(4-14)5-15/h6-8,15H,2-5,13H2,1H3.
What are the key properties of [1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol?
[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol has a molecular weight of 226.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112624334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).