(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol

C8H16FNO — CID 131018705

IUPAC(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol
SMILESCC(C)N1CCC(F)(CO)C1
InChIInChI=1S/C8H16FNO/c1-7(2)10-4-3-8(9,5-10)6-11/h7,11H,3-6H2,1-2H3
InChIKeyCDICMHZWWCBWQA-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds2

About (3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol

(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol (PubChem CID 131018705) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol
PubChem CID131018705
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol
SMILESCC(C)N1CCC(F)(CO)C1
InChIInChI=1S/C8H16FNO/c1-7(2)10-4-3-8(9,5-10)6-11/h7,11H,3-6H2,1-2H3
InChIKeyCDICMHZWWCBWQA-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol 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-Isopropylpyrrolidin-3-yl)methanol
CID 16641305
N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251
2-Methyl-4-(3-methyl-1-pyrrolidinyl)-1-butanol
CID 10057969
(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

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol?
The IUPAC name of (3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol (CID 131018705) is (3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol?
The canonical SMILES for (3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol is CC(C)N1CCC(F)(CO)C1.
What is the InChIKey of (3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol?
The InChIKey is CDICMHZWWCBWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(2)10-4-3-8(9,5-10)6-11/h7,11H,3-6H2,1-2H3.
What are the key properties of (3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol?
(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 131018705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).