[5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol

C12H18FNOS — CID 170950900

IUPAC[5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol
SMILESOCc1ccc(CC2CN(CCCF)C2)s1
InChIInChI=1S/C12H18FNOS/c13-4-1-5-14-7-10(8-14)6-11-2-3-12(9-15)16-11/h2-3,10,15H,1,4-9H2
InChIKeyNXLTYTRUJZEBAY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.07
Rot. Bonds6

About [5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol

[5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol (PubChem CID 170950900) has the molecular formula C12H18FNOS and a molecular weight of 243.35 g/mol. Its IUPAC name is [5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol
PubChem CID170950900
Molecular FormulaC12H18FNOS
Molecular Weight243.35 g/mol
Exact Mass243.11
IUPAC Name[5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol
SMILESOCc1ccc(CC2CN(CCCF)C2)s1
InChIInChI=1S/C12H18FNOS/c13-4-1-5-14-7-10(8-14)6-11-2-3-12(9-15)16-11/h2-3,10,15H,1,4-9H2
InChIKeyNXLTYTRUJZEBAY-UHFFFAOYSA-N
XLogP2.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol?
The IUPAC name of [5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol (CID 170950900) is [5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol.
What is the SMILES notation for [5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol?
The canonical SMILES for [5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol is OCc1ccc(CC2CN(CCCF)C2)s1.
What is the InChIKey of [5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol?
The InChIKey is NXLTYTRUJZEBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNOS/c13-4-1-5-14-7-10(8-14)6-11-2-3-12(9-15)16-11/h2-3,10,15H,1,4-9H2.
What are the key properties of [5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol?
[5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol has a molecular weight of 243.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]thiophen-2-yl]methanol is sourced from PubChem (CID 170950900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).