[1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol

C9H16F3NO — CID 115518076

IUPAC[1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)4-2-6-13-5-1-3-8(13)7-14/h8,14H,1-7H2
InChIKeyBFYXRPSTUGYIAK-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.79
Rot. Bonds4

About [1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol

[1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol (PubChem CID 115518076) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is [1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol
PubChem CID115518076
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name[1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)4-2-6-13-5-1-3-8(13)7-14/h8,14H,1-7H2
InChIKeyBFYXRPSTUGYIAK-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

Analyze [1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol (CID 115518076) is [1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol is OCC1CCCN1CCCC(F)(F)F.
What is the InChIKey of [1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol?
The InChIKey is BFYXRPSTUGYIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)4-2-6-13-5-1-3-8(13)7-14/h8,14H,1-7H2.
What are the key properties of [1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol?
[1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol 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 [1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 115518076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).