1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol

C9H16F3NO — CID 112628427

IUPAC1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-7(14)8-2-4-13(6-8)5-3-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyIMNDHCJTVPAVML-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.64
Rot. Bonds3

About 1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol

1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol (PubChem CID 112628427) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol
PubChem CID112628427
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-7(14)8-2-4-13(6-8)5-3-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyIMNDHCJTVPAVML-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-Dimethylpyrrolidin-3-yl)-3,3,3-trifluoropropan-1-ol
CID 60007018
2,2-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 60007094
2,2,2-Trifluoro-1-(1-methylpyrrolidin-3-yl)ethanol
CID 60007123
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol
CID 66815390
1-(1-Tert-butylpyrrolidin-3-yl)-2-fluoroethanol
CID 66815505
3-[3-(1-Fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281088
3-[3-(2-Fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67283084
4,4-Difluoro-5-(pyrrolidin-1-yl)pentan-2-ol
CID 69672148
1-(2,2-Difluoropyrrolidin-3-yl)ethanol
CID 69798619
1-(1-Ethylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 89584678
2,2,2-Trifluoro-1-(1-propylpiperidin-4-yl)ethanol
CID 112326754
1-(1-Tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol
CID 118880823

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol (CID 112628427) is 1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(CCC(F)(F)F)C1.
What is the InChIKey of 1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol?
The InChIKey is IMNDHCJTVPAVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(14)8-2-4-13(6-8)5-3-9(10,11)12/h7-8,14H,2-6H2,1H3.
What are the key properties of 1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol?
1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol has a molecular weight of 211.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112628427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).