2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol

C10H19F3N2O — CID 114797228

IUPAC2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol
SMILESNCCC(N1CCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)9(1-4-14)15-5-2-8(7-15)3-6-16/h8-9,16H,1-7,14H2
InChIKeySFKXKVVVBWOTNY-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.97
Rot. Bonds5

About 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol

2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 114797228) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID114797228
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol
SMILESNCCC(N1CCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)9(1-4-14)15-5-2-8(7-15)3-6-16/h8-9,16H,1-7,14H2
InChIKeySFKXKVVVBWOTNY-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

2,2-Difluoro-2-(pyrrolidin-3-yl)ethan-1-ol
CID 60006963
2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol
CID 91602738
4-(1,1-Difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine
CID 137489575
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol
CID 61407665
2-[3-Amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol
CID 83916917
2-[2-(Trifluoromethyl)pyrrolidin-3-yl]ethanol
CID 84073090
2-[2-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl]ethanol
CID 84073116
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102777672
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102777997
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102778107
[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-2-yl]methanol
CID 103366193
1-[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol
CID 103366443

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol (CID 114797228) is 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol is NCCC(N1CCC(CCO)C1)C(F)(F)F.
What is the InChIKey of 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is SFKXKVVVBWOTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)9(1-4-14)15-5-2-8(7-15)3-6-16/h8-9,16H,1-7,14H2.
What are the key properties of 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol?
2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 240.27 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114797228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).