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

C10H19F3N2O — CID 114797145

IUPAC2-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(N)C(N1CCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7(14)9(10(11,12)13)15-4-2-8(6-15)3-5-16/h7-9,16H,2-6,14H2,1H3
InChIKeyRQEGMVVHAOAYKH-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.97
Rot. Bonds4

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

2-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 114797145) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID114797145
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(N)C(N1CCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7(14)9(10(11,12)13)15-4-2-8(6-15)3-5-16/h7-9,16H,2-6,14H2,1H3
InChIKeyRQEGMVVHAOAYKH-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol
CID 66837420
4-(1,1-Difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine
CID 137489575
(2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol
CID 137496274
4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 146364731
2-[Methyl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 172334699
N-ethyl-4-hydroperoxy-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]butan-1-amine
CID 172334995
2-[Propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 176601977
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol
CID 61407662
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-4-yl]methanol
CID 61648235
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methanol
CID 61648236
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol
CID 61648296
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-2-yl]methanol
CID 61648297

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol (CID 114797145) is 2-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol is CC(N)C(N1CCC(CCO)C1)C(F)(F)F.
What is the InChIKey of 2-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is RQEGMVVHAOAYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-7(14)9(10(11,12)13)15-4-2-8(6-15)3-5-16/h7-9,16H,2-6,14H2,1H3.
What are the key properties of 2-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol?
2-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 240.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114797145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).