1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol

C9H18FNO — CID 130693362

IUPAC1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol
SMILESCC(F)CCN1CC(C)C(O)C1
InChIInChI=1S/C9H18FNO/c1-7-5-11(6-9(7)12)4-3-8(2)10/h7-9,12H,3-6H2,1-2H3
InChIKeyBYRBLWVJPXIYIY-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds3

About 1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol

1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol (PubChem CID 130693362) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol
PubChem CID130693362
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol
SMILESCC(F)CCN1CC(C)C(O)C1
InChIInChI=1S/C9H18FNO/c1-7-5-11(6-9(7)12)4-3-8(2)10/h7-9,12H,3-6H2,1-2H3
InChIKeyBYRBLWVJPXIYIY-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethyl-1-pyrrolidin-1-ylbutan-2-ol
CID 16193323
1-Tert-butylpyrrolidin-3-ol
CID 21702735
3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-2-ol
CID 3293124
1-(2-Methylpropyl)pyrrolidin-3-ol
CID 20672251
1-(2-Fluoroethyl)pyrrolidin-3-ol
CID 22436476
(3S)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 57561797
1-(3-Fluoropropyl)pyrrolidin-3-ol
CID 81113801
(3R)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 89708588
1-(1-Fluoroethyl)pyrrolidin-3-ol
CID 22438903
(3R)-1-(2-fluoroethyl)pyrrolidin-3-ol
CID 45087549
3-[3-(1-Fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281088
(3R)-1-(1-fluoroethyl)pyrrolidin-3-ol
CID 67683921

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol (CID 130693362) is 1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol is CC(F)CCN1CC(C)C(O)C1.
What is the InChIKey of 1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol?
The InChIKey is BYRBLWVJPXIYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7-5-11(6-9(7)12)4-3-8(2)10/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol?
1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobutyl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 130693362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).