[(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone

C11H17F2NO — CID 129349028

IUPAC[(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)[C@H]2CCCCC2(F)F)C1
InChIInChI=1S/C11H17F2NO/c1-8-6-14(7-8)10(15)9-4-2-3-5-11(9,12)13/h8-9H,2-7H2,1H3/t9-/m1/s1
InChIKeyUJCRARAGFDGFDX-SECBINFHSA-N
MW217.26 g/mol
LogP2.29
Rot. Bonds1

About [(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone

[(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone (PubChem CID 129349028) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is [(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone
PubChem CID129349028
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name[(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)[C@H]2CCCCC2(F)F)C1
InChIInChI=1S/C11H17F2NO/c1-8-6-14(7-8)10(15)9-4-2-3-5-11(9,12)13/h8-9H,2-7H2,1H3/t9-/m1/s1
InChIKeyUJCRARAGFDGFDX-SECBINFHSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexanecarboxamide, N,N-dipropyl-
CID 152793
Cyclohexanecarboxamide, N,N-diethyl-
CID 94872
N,N-Diethylcyclohexanepropanamide
CID 95064
1-(3-Cyclohexylazetidin-1-yl)-4,4,4-trifluoro-butan-1-one
CID 137499437
N,N-Diethylcyclohexaneacetamide
CID 125722
Cyclohexanecarboxamide, N,N-dibutyl-
CID 533209
Azetidine, 1-(2-propylvaleryl)-
CID 31642
(4,4-Difluorocyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
CID 67953860
1-[3-(4,4-Difluorocyclohexyl)azetidin-1-yl]-4,4,4-trifluoro-butan-1-one
CID 137499386
N,N-bis(2-methylpropyl)cyclohexanecarboxamide
CID 896672
N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide
CID 44550873
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
CID 78882420

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone?
The IUPAC name of [(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone (CID 129349028) is [(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone.
What is the SMILES notation for [(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone?
The canonical SMILES for [(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone is CC1CN(C(=O)[C@H]2CCCCC2(F)F)C1.
What is the InChIKey of [(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone?
The InChIKey is UJCRARAGFDGFDX-SECBINFHSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-8-6-14(7-8)10(15)9-4-2-3-5-11(9,12)13/h8-9H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of [(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone?
[(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone has a molecular weight of 217.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-difluorocyclohexyl]-(3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 129349028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).