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

C8H15F3N2O — CID 61407662

IUPAC[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol
SMILESNCC(N1CCCC1CO)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7(4-12)13-3-1-2-6(13)5-14/h6-7,14H,1-5,12H2
InChIKeyPJCBDSLPNMKJHY-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.33
Rot. Bonds3

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

[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 61407662) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is [1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol
PubChem CID61407662
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol
SMILESNCC(N1CCCC1CO)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7(4-12)13-3-1-2-6(13)5-14/h6-7,14H,1-5,12H2
InChIKeyPJCBDSLPNMKJHY-UHFFFAOYSA-N
XLogP0.33
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.33
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-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol (CID 61407662) is [1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol is NCC(N1CCCC1CO)C(F)(F)F.
What is the InChIKey of [1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is PJCBDSLPNMKJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)7(4-12)13-3-1-2-6(13)5-14/h6-7,14H,1-5,12H2.
What are the key properties of [1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol?
[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol has a molecular weight of 212.21 g/mol, XLogP of 0.33, 3 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-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 61407662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).