[4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol

C9H18FNO — CID 115014551

IUPAC[4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCC(F)CC1CN(C)CC1CO
InChIInChI=1S/C9H18FNO/c1-7(10)3-8-4-11(2)5-9(8)6-12/h7-9,12H,3-6H2,1-2H3
InChIKeyNXZNYHXFRKJZAU-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.90
Rot. Bonds3

About [4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol

[4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol (PubChem CID 115014551) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol
PubChem CID115014551
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name[4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCC(F)CC1CN(C)CC1CO
InChIInChI=1S/C9H18FNO/c1-7(10)3-8-4-11(2)5-9(8)6-12/h7-9,12H,3-6H2,1-2H3
InChIKeyNXZNYHXFRKJZAU-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol (CID 115014551) is [4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol is CC(F)CC1CN(C)CC1CO.
What is the InChIKey of [4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is NXZNYHXFRKJZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(10)3-8-4-11(2)5-9(8)6-12/h7-9,12H,3-6H2,1-2H3.
What are the key properties of [4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol?
[4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 175.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoropropyl)-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 115014551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).