(1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol

C9H18FNO — CID 163648999

IUPAC(1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol
SMILESCC(C)C(F)[C@@H](O)[C@@H]1CCNC1
InChIInChI=1S/C9H18FNO/c1-6(2)8(10)9(12)7-3-4-11-5-7/h6-9,11-12H,3-5H2,1-2H3/t7-,8?,9+/m1/s1
InChIKeyIKPVHIKEOWUOCD-NBXIYJJMSA-N
MW175.25 g/mol
LogP0.95
Rot. Bonds3

About (1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol

(1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol (PubChem CID 163648999) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol.

Molecular Properties

Compound Name(1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol
PubChem CID163648999
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol
SMILESCC(C)C(F)[C@@H](O)[C@@H]1CCNC1
InChIInChI=1S/C9H18FNO/c1-6(2)8(10)9(12)7-3-4-11-5-7/h6-9,11-12H,3-5H2,1-2H3/t7-,8?,9+/m1/s1
InChIKeyIKPVHIKEOWUOCD-NBXIYJJMSA-N
XLogP0.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol 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-(Pyrrolidin-3-yl)ethan-1-ol
CID 22560162
(1S)-2,2-difluoro-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
CID 60006961
2,2-Difluoro-1-pyrrolidin-3-ylpropan-1-ol
CID 60007136
1-(4-Fluoropyrrolidin-3-yl)ethanol
CID 67769747
2-fluoro-1-[(3S)-pyrrolidin-3-yl]ethanol
CID 68759390
1-(2,2-Difluoropyrrolidin-3-yl)ethanol
CID 69798619
2-Fluoro-1-pyrrolidin-3-ylethanol
CID 77568246
1-(3-Fluoropyrrolidin-3-yl)ethan-1-ol
CID 90732399
(1R)-3,3-difluoro-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
CID 153714792
1-Fluoro-1-pyrrolidin-3-ylpropan-2-ol
CID 105429068
3-Fluoro-4-pyrrolidin-3-ylbutan-2-ol
CID 105431679
4-(2-Fluoropropyl)pyrrolidin-3-ol
CID 115011721

Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol?
The IUPAC name of (1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol (CID 163648999) is (1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol.
What is the SMILES notation for (1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol?
The canonical SMILES for (1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol is CC(C)C(F)[C@@H](O)[C@@H]1CCNC1.
What is the InChIKey of (1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol?
The InChIKey is IKPVHIKEOWUOCD-NBXIYJJMSA-N. The full InChI is InChI=1S/C9H18FNO/c1-6(2)8(10)9(12)7-3-4-11-5-7/h6-9,11-12H,3-5H2,1-2H3/t7-,8?,9+/m1/s1.
What are the key properties of (1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol?
(1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol has a molecular weight of 175.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol is sourced from PubChem (CID 163648999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).