3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol

C9H16F3NO — CID 62468165

IUPAC3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-13-5-1-3-8(13)4-2-6-14/h8,14H,1-7H2
InChIKeyQAQNKRATPYZXAO-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.79
Rot. Bonds4

About 3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62468165) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62468165
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-13-5-1-3-8(13)4-2-6-14/h8,14H,1-7H2
InChIKeyQAQNKRATPYZXAO-UHFFFAOYSA-N
XLogP1.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol (CID 62468165) is 3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CC(F)(F)F.
What is the InChIKey of 3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is QAQNKRATPYZXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)7-13-5-1-3-8(13)4-2-6-14/h8,14H,1-7H2.
What are the key properties of 3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62468165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).