4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol

C7H12F3NO2 — CID 66275466

IUPAC4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol
SMILESCC(OC1CNCC1O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(7(8,9)10)13-6-3-11-2-5(6)12/h4-6,11-12H,2-3H2,1H3
InChIKeyFWWWFIJZFUYTRX-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.29
Rot. Bonds2

About 4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol

4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol (PubChem CID 66275466) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol
PubChem CID66275466
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol
SMILESCC(OC1CNCC1O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(7(8,9)10)13-6-3-11-2-5(6)12/h4-6,11-12H,2-3H2,1H3
InChIKeyFWWWFIJZFUYTRX-UHFFFAOYSA-N
XLogP0.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol?
The IUPAC name of 4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol (CID 66275466) is 4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol.
What is the SMILES notation for 4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol?
The canonical SMILES for 4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol is CC(OC1CNCC1O)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol?
The InChIKey is FWWWFIJZFUYTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-4(7(8,9)10)13-6-3-11-2-5(6)12/h4-6,11-12H,2-3H2,1H3.
What are the key properties of 4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol?
4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol has a molecular weight of 199.17 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoropropan-2-yloxy)pyrrolidin-3-ol is sourced from PubChem (CID 66275466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).