[1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol

C10H17F3N2O — CID 62976054

IUPAC[1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol
SMILESOCC1(NCC(F)(F)F)CCN(C2CC2)C1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)5-14-9(7-16)3-4-15(6-9)8-1-2-8/h8,14,16H,1-7H2
InChIKeyGZXJXYKIUZUKRB-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.74
Rot. Bonds4

About [1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol

[1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol (PubChem CID 62976054) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is [1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol
PubChem CID62976054
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name[1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol
SMILESOCC1(NCC(F)(F)F)CCN(C2CC2)C1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)5-14-9(7-16)3-4-15(6-9)8-1-2-8/h8,14,16H,1-7H2
InChIKeyGZXJXYKIUZUKRB-UHFFFAOYSA-N
XLogP0.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol (CID 62976054) is [1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol is OCC1(NCC(F)(F)F)CCN(C2CC2)C1.
What is the InChIKey of [1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol?
The InChIKey is GZXJXYKIUZUKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)5-14-9(7-16)3-4-15(6-9)8-1-2-8/h8,14,16H,1-7H2.
What are the key properties of [1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol?
[1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol has a molecular weight of 238.25 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-3-(2,2,2-trifluoroethylamino)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62976054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).