(1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol

C9H18FNO — CID 126989170

IUPAC(1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol
SMILESCCC(C)N1CCC(F)(CO)C1
InChIInChI=1S/C9H18FNO/c1-3-8(2)11-5-4-9(10,6-11)7-12/h8,12H,3-7H2,1-2H3
InChIKeyXUWROWJSRWDZJS-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds3

About (1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol

(1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol (PubChem CID 126989170) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol
PubChem CID126989170
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol
SMILESCCC(C)N1CCC(F)(CO)C1
InChIInChI=1S/C9H18FNO/c1-3-8(2)11-5-4-9(10,6-11)7-12/h8,12H,3-7H2,1-2H3
InChIKeyXUWROWJSRWDZJS-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Isopropylpyrrolidin-3-yl)methanol
CID 16641305
N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251
(S)-4-(3-Fluoropyrrolidin-1-yl)butanol
CID 69672155
4-(3-Fluoropyrrolidin-1-yl)butan-1-ol
CID 69672156
(3-Fluoro-1-methyl-pyrrolidin-3-yl)methanol
CID 84020607
(S)-2-((R)-3-(fluoromethyl)pyrrolidin-1-yl)propan-1-ol
CID 89634400
(1-Tert-butyl-3-fluoropyrrolidin-3-yl)methanol
CID 90155876
[cis-4-Fluoro-1-methyl-pyrrolidin-3-yl]methanol
CID 105530050
((3R,4S)-4-Fluoro-1-methylpyrrolidin-3-yl)methanol
CID 105531136
2-[3-(Fluoromethyl)pyrrolidin-1-yl]propan-1-ol
CID 117774496
[(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 118418789
3-(Fluoromethyl)-1-methylpyrrolidin-2-ol
CID 130392099

Frequently Asked Questions

What is the IUPAC name of (1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol?
The IUPAC name of (1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol (CID 126989170) is (1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol?
The canonical SMILES for (1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol is CCC(C)N1CCC(F)(CO)C1.
What is the InChIKey of (1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol?
The InChIKey is XUWROWJSRWDZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-3-8(2)11-5-4-9(10,6-11)7-12/h8,12H,3-7H2,1-2H3.
What are the key properties of (1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol?
(1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-yl-3-fluoropyrrolidin-3-yl)methanol is sourced from PubChem (CID 126989170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).