1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol

C9H17F3N2O — CID 103355587

IUPAC1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(C(CCN)C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O/c1-8(15)3-5-14(6-8)7(2-4-13)9(10,11)12/h7,15H,2-6,13H2,1H3
InChIKeyHSUAOZYTEPUXOS-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.72
Rot. Bonds3

About 1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol

1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol (PubChem CID 103355587) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol
PubChem CID103355587
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(C(CCN)C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O/c1-8(15)3-5-14(6-8)7(2-4-13)9(10,11)12/h7,15H,2-6,13H2,1H3
InChIKeyHSUAOZYTEPUXOS-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 61978000
3-(Difluoromethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 80605832
4-Amino-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 117706288
3-Methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 117706292
3-Methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-ol
CID 117709648
(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 141676333
(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 141676339
1-[(4-Amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol
CID 163294804
4,4-Difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol
CID 169592331
(3R)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol
CID 174346045
(3S)-4,4-difluoro-3-methyl-1-propan-2-ylpyrrolidin-3-ol
CID 174346047
1-Amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 64820228

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol (CID 103355587) is 1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(C(CCN)C(F)(F)F)C1.
What is the InChIKey of 1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol?
The InChIKey is HSUAOZYTEPUXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-8(15)3-5-14(6-8)7(2-4-13)9(10,11)12/h7,15H,2-6,13H2,1H3.
What are the key properties of 1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol?
1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol has a molecular weight of 226.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).