(4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol

C8H16FNO — CID 126997673

IUPAC(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol
SMILESCC(C)N1CC(CC1CO)F
InChIInChI=1S/C8H16FNO/c1-6(2)10-4-7(9)3-8(10)5-11/h6-8,11H,3-5H2,1-2H3
InChIKeyWVSANILFMGFLCB-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.00
Rot. Bonds2

About (4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol

(4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol (PubChem CID 126997673) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol
PubChem CID126997673
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol
SMILESCC(C)N1CC(CC1CO)F
InChIInChI=1S/C8H16FNO/c1-6(2)10-4-7(9)3-8(10)5-11/h6-8,11H,3-5H2,1-2H3
InChIKeyWVSANILFMGFLCB-UHFFFAOYSA-N
XLogP1.00
TPSA23.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity129

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2-pyrrolidinemethanol
CID 97836
(2S)-1-Methyl-2-pyrrolidinemethanol
CID 643492
[(2S)-1-Ethyl-2-Pyrrolidinyl]Methanol
CID 952319
((2R)-1-methylpyrrolidin-2-yl)methanol
CID 11007868
[1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol
CID 18616423
((2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl)methanol
CID 952314
((2R)-1-ethylpyrrolidin-2-yl)methanol
CID 952320
(1-Propylpyrrolidin-2-yl)methanol
CID 23383549
1-[(2S)-1-methylpyrrolidin-2-yl]ethan-1-ol
CID 45087390
((2S)-1-(2-methoxyethyl)pyrrolidin-2-yl)methanol
CID 59701827
[(2S)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
CID 64104040
(1S)-1-[(2S)-1-Methylpyrrolidin-2-yl]ethanol
CID 92979732

Frequently Asked Questions

What is the IUPAC name of (4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol?
The IUPAC name of (4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol (CID 126997673) is (4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol?
The canonical SMILES for (4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol is CC(C)N1CC(CC1CO)F.
What is the InChIKey of (4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol?
The InChIKey is WVSANILFMGFLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(2)10-4-7(9)3-8(10)5-11/h6-8,11H,3-5H2,1-2H3.
What are the key properties of (4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol?
(4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol has a molecular weight of 161.22 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 126997673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).