1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol

C10H17F2NO3S — CID 128577995

IUPAC1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(S(=O)(=O)CC2CCCC2(F)F)C1
InChIInChI=1S/C10H17F2NO3S/c1-9(14)6-13(7-9)17(15,16)5-8-3-2-4-10(8,11)12/h8,14H,2-7H2,1H3
InChIKeyXNEQQRQDACBDCP-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.82
Rot. Bonds3

About 1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol

1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol (PubChem CID 128577995) has the molecular formula C10H17F2NO3S and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol
PubChem CID128577995
Molecular FormulaC10H17F2NO3S
Molecular Weight269.31 g/mol
Exact Mass269.09
IUPAC Name1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(S(=O)(=O)CC2CCCC2(F)F)C1
InChIInChI=1S/C10H17F2NO3S/c1-9(14)6-13(7-9)17(15,16)5-8-3-2-4-10(8,11)12/h8,14H,2-7H2,1H3
InChIKeyXNEQQRQDACBDCP-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol (CID 128577995) is 1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol is CC1(O)CN(S(=O)(=O)CC2CCCC2(F)F)C1.
What is the InChIKey of 1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol?
The InChIKey is XNEQQRQDACBDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3S/c1-9(14)6-13(7-9)17(15,16)5-8-3-2-4-10(8,11)12/h8,14H,2-7H2,1H3.
What are the key properties of 1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol?
1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol has a molecular weight of 269.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclopentyl)methylsulfonyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 128577995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).