(3-fluoro-1-propylpyrrolidin-3-yl)methanol

C8H16FNO — CID 130754689

IUPAC(3-fluoro-1-propylpyrrolidin-3-yl)methanol
SMILESCCCN1CCC(F)(CO)C1
InChIInChI=1S/C8H16FNO/c1-2-4-10-5-3-8(9,6-10)7-11/h11H,2-7H2,1H3
InChIKeyRGZUYKBFAFJUSA-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds3

About (3-fluoro-1-propylpyrrolidin-3-yl)methanol

(3-fluoro-1-propylpyrrolidin-3-yl)methanol (PubChem CID 130754689) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3-fluoro-1-propylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-1-propylpyrrolidin-3-yl)methanol
PubChem CID130754689
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3-fluoro-1-propylpyrrolidin-3-yl)methanol
SMILESCCCN1CCC(F)(CO)C1
InChIInChI=1S/C8H16FNO/c1-2-4-10-5-3-8(9,6-10)7-11/h11H,2-7H2,1H3
InChIKeyRGZUYKBFAFJUSA-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

2,2-Dimethyl-3-(Pyrrolidin-1-Yl)Propan-1-Ol
CID 268115
(1-Methylpyrrolidin-3-yl)methanol
CID 295970
4-(Pyrrolidin-1-yl)butan-1-ol
CID 13171952
(1-Isopropylpyrrolidin-3-yl)methanol
CID 16641305
(1-Ethylpyrrolidin-3-yl)methanol
CID 21702849
2-Methyl-3-(pyrrolidin-1-yl)propan-1-ol
CID 25219176
((3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl)methanol
CID 134249504
N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251
[(3S)-1-methylpyrrolidin-3-yl]methanol hydrochloride
CID 154814266
((3R)-1-methylpyrrolidin-3-yl)methanol hydrochloride
CID 155819587
(2R)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 25418778
(S)-(1-Methylpyrrolidin-3-YL)methanol
CID 38988801

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-propylpyrrolidin-3-yl)methanol?
The IUPAC name of (3-fluoro-1-propylpyrrolidin-3-yl)methanol (CID 130754689) is (3-fluoro-1-propylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (3-fluoro-1-propylpyrrolidin-3-yl)methanol?
The canonical SMILES for (3-fluoro-1-propylpyrrolidin-3-yl)methanol is CCCN1CCC(F)(CO)C1.
What is the InChIKey of (3-fluoro-1-propylpyrrolidin-3-yl)methanol?
The InChIKey is RGZUYKBFAFJUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-4-10-5-3-8(9,6-10)7-11/h11H,2-7H2,1H3.
What are the key properties of (3-fluoro-1-propylpyrrolidin-3-yl)methanol?
(3-fluoro-1-propylpyrrolidin-3-yl)methanol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1-propylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 130754689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).