3-fluoro-4-pyrrolidin-3-ylbutan-2-ol

C8H16FNO — CID 105431679

IUPAC3-fluoro-4-pyrrolidin-3-ylbutan-2-ol
SMILESCC(O)C(F)CC1CCNC1
InChIInChI=1S/C8H16FNO/c1-6(11)8(9)4-7-2-3-10-5-7/h6-8,10-11H,2-5H2,1H3
InChIKeyWWHNQKKRRBXTGJ-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.70
Rot. Bonds3

About 3-fluoro-4-pyrrolidin-3-ylbutan-2-ol

3-fluoro-4-pyrrolidin-3-ylbutan-2-ol (PubChem CID 105431679) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-fluoro-4-pyrrolidin-3-ylbutan-2-ol.

Molecular Properties

Compound Name3-fluoro-4-pyrrolidin-3-ylbutan-2-ol
PubChem CID105431679
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-fluoro-4-pyrrolidin-3-ylbutan-2-ol
SMILESCC(O)C(F)CC1CCNC1
InChIInChI=1S/C8H16FNO/c1-6(11)8(9)4-7-2-3-10-5-7/h6-8,10-11H,2-5H2,1H3
InChIKeyWWHNQKKRRBXTGJ-UHFFFAOYSA-N
XLogP0.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pyrrolidinepropanol
CID 18337184
3-[(3R)-pyrrolidin-3-yl]propan-1-ol hydrochloride
CID 170914857
2,2-Difluoro-1-pyrrolidin-3-ylpropane-1,3-diol;ethane
CID 143016295
(1S)-2-fluoro-3-methyl-1-[(3R)-pyrrolidin-3-yl]butan-1-ol
CID 163648999
2-[(2S,3S)-2-fluoro-3,4-dimethylpyrrolidin-3-yl]propan-1-ol
CID 173992720
[(2S)-2-[(2S)-2-fluorobutyl]pyrrolidin-2-yl]methanol
CID 177180009
4,4,4-Trifluoro-3-pyrrolidin-3-ylbutan-1-ol
CID 84072608
1,1,1-Trifluoro-3-pyrrolidin-3-ylpropan-2-ol
CID 84732502
1,1,1-Trifluoro-4-pyrrolidin-3-ylbutan-2-ol
CID 84733444
1,1,1-Trifluoro-5-pyrrolidin-3-ylpentan-2-ol
CID 84734520
3-(4,4,4-Trifluoro-3-methoxybutyl)pyrrolidine
CID 84734550
2-Fluoro-3-pyrrolidin-3-ylpropan-1-ol
CID 105429061

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-pyrrolidin-3-ylbutan-2-ol?
The IUPAC name of 3-fluoro-4-pyrrolidin-3-ylbutan-2-ol (CID 105431679) is 3-fluoro-4-pyrrolidin-3-ylbutan-2-ol.
What is the SMILES notation for 3-fluoro-4-pyrrolidin-3-ylbutan-2-ol?
The canonical SMILES for 3-fluoro-4-pyrrolidin-3-ylbutan-2-ol is CC(O)C(F)CC1CCNC1.
What is the InChIKey of 3-fluoro-4-pyrrolidin-3-ylbutan-2-ol?
The InChIKey is WWHNQKKRRBXTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(11)8(9)4-7-2-3-10-5-7/h6-8,10-11H,2-5H2,1H3.
What are the key properties of 3-fluoro-4-pyrrolidin-3-ylbutan-2-ol?
3-fluoro-4-pyrrolidin-3-ylbutan-2-ol has a molecular weight of 161.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-pyrrolidin-3-ylbutan-2-ol is sourced from PubChem (CID 105431679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).