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

C11H21F3N2O — CID 62468935

IUPAC3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(N)C(N1CCCC1CCCO)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-8(15)10(11(12,13)14)16-6-2-4-9(16)5-3-7-17/h8-10,17H,2-7,15H2,1H3
InChIKeyDIZCFPKHWOEKLE-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds5

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

3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62468935) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62468935
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(N)C(N1CCCC1CCCO)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-8(15)10(11(12,13)14)16-6-2-4-9(16)5-3-7-17/h8-10,17H,2-7,15H2,1H3
InChIKeyDIZCFPKHWOEKLE-UHFFFAOYSA-N
XLogP1.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-amino-2,2-dimethylpentan-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 62467343
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4,4-trifluorobutan-2-amine
CID 62885371
methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 79407384
3-[1-[2-amino-1-(5-methylfuran-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467339
3-[1-(1-aminopentan-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 62468424
3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol
CID 55076018
1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469380
3-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55075970
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 62469409
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
3-[1-(1-amino-2-methylpropan-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 104523176

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol (CID 62468935) is 3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol is CC(N)C(N1CCCC1CCCO)C(F)(F)F.
What is the InChIKey of 3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is DIZCFPKHWOEKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8(15)10(11(12,13)14)16-6-2-4-9(16)5-3-7-17/h8-10,17H,2-7,15H2,1H3.
What are the key properties of 3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62468935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).