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

C10H19F3N2O — CID 112624471

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

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

[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 112624471) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is [1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol
PubChem CID112624471
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol
SMILESCCC(N)C(N1CCC(CO)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-2-8(14)9(10(11,12)13)15-4-3-7(5-15)6-16/h7-9,16H,2-6,14H2,1H3
InChIKeyUVPAYBVIXJZARK-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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Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol (CID 112624471) is [1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol is CCC(N)C(N1CCC(CO)C1)C(F)(F)F.
What is the InChIKey of [1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is UVPAYBVIXJZARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-2-8(14)9(10(11,12)13)15-4-3-7(5-15)6-16/h7-9,16H,2-6,14H2,1H3.
What are the key properties of [1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol?
[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol 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 [1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112624471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).