1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol

C11H21F3N2O — CID 103778744

IUPAC1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
SMILESCC(CC(F)(F)F)NCC(O)CN1CCCC1
InChIInChI=1S/C11H21F3N2O/c1-9(6-11(12,13)14)15-7-10(17)8-16-4-2-3-5-16/h9-10,15,17H,2-8H2,1H3
InChIKeyLWIPYDRPFVGQRH-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.37
Rot. Bonds6

About 1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol

1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol (PubChem CID 103778744) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
PubChem CID103778744
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
SMILESCC(CC(F)(F)F)NCC(O)CN1CCCC1
InChIInChI=1S/C11H21F3N2O/c1-9(6-11(12,13)14)15-7-10(17)8-16-4-2-3-5-16/h9-10,15,17H,2-8H2,1H3
InChIKeyLWIPYDRPFVGQRH-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol?
The IUPAC name of 1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol (CID 103778744) is 1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol is CC(CC(F)(F)F)NCC(O)CN1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol?
The InChIKey is LWIPYDRPFVGQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(6-11(12,13)14)15-7-10(17)8-16-4-2-3-5-16/h9-10,15,17H,2-8H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol?
1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol is sourced from PubChem (CID 103778744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).