(3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol

C12H22FNO — CID 167196346

IUPAC(3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol
SMILESCC(C)CC1(CN2C[C@@H](O)[C@@H](F)C2)CC1
InChIInChI=1S/C12H22FNO/c1-9(2)5-12(3-4-12)8-14-6-10(13)11(15)7-14/h9-11,15H,3-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyKHFXBJNSSBEEJH-WDEREUQCSA-N
MW215.31 g/mol
LogP1.83
Rot. Bonds4

About (3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol

(3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol (PubChem CID 167196346) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol
PubChem CID167196346
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name(3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol
SMILESCC(C)CC1(CN2C[C@@H](O)[C@@H](F)C2)CC1
InChIInChI=1S/C12H22FNO/c1-9(2)5-12(3-4-12)8-14-6-10(13)11(15)7-14/h9-11,15H,3-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyKHFXBJNSSBEEJH-WDEREUQCSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol 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 (3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol (CID 167196346) is (3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol is CC(C)CC1(CN2C[C@@H](O)[C@@H](F)C2)CC1.
What is the InChIKey of (3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol?
The InChIKey is KHFXBJNSSBEEJH-WDEREUQCSA-N. The full InChI is InChI=1S/C12H22FNO/c1-9(2)5-12(3-4-12)8-14-6-10(13)11(15)7-14/h9-11,15H,3-8H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol?
(3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol has a molecular weight of 215.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 167196346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).