(4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate

C11H16F2N2O3 — CID 131746537

IUPAC(4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESCN(C(=O)OC1CCC(F)(F)CC1)[C@H]1CNC1=O
InChIInChI=1S/C11H16F2N2O3/c1-15(8-6-14-9(8)16)10(17)18-7-2-4-11(12,13)5-3-7/h7-8H,2-6H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyYCZZFQNNDBNMSQ-QMMMGPOBSA-N
MW262.26 g/mol
LogP1.13
Rot. Bonds2

About (4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate

(4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate (PubChem CID 131746537) has the molecular formula C11H16F2N2O3 and a molecular weight of 262.26 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
PubChem CID131746537
Molecular FormulaC11H16F2N2O3
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name(4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESCN(C(=O)OC1CCC(F)(F)CC1)[C@H]1CNC1=O
InChIInChI=1S/C11H16F2N2O3/c1-15(8-6-14-9(8)16)10(17)18-7-2-4-11(12,13)5-3-7/h7-8H,2-6H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyYCZZFQNNDBNMSQ-QMMMGPOBSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The IUPAC name of (4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate (CID 131746537) is (4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for (4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The canonical SMILES for (4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate is CN(C(=O)OC1CCC(F)(F)CC1)[C@H]1CNC1=O.
What is the InChIKey of (4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The InChIKey is YCZZFQNNDBNMSQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16F2N2O3/c1-15(8-6-14-9(8)16)10(17)18-7-2-4-11(12,13)5-3-7/h7-8H,2-6H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of (4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
(4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate has a molecular weight of 262.26 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 131746537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).