4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine

C9H17F2NS — CID 127000260

IUPAC4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine
SMILESCC(C)C1CN(CC(F)F)CCS1
InChIInChI=1S/C9H17F2NS/c1-7(2)8-5-12(3-4-13-8)6-9(10)11/h7-9H,3-6H2,1-2H3
InChIKeyOIEBQRIRRMFMSZ-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.32
Rot. Bonds3

About 4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine

4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine (PubChem CID 127000260) has the molecular formula C9H17F2NS and a molecular weight of 209.30 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine
PubChem CID127000260
Molecular FormulaC9H17F2NS
Molecular Weight209.30 g/mol
Exact Mass209.10
IUPAC Name4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine
SMILESCC(C)C1CN(CC(F)F)CCS1
InChIInChI=1S/C9H17F2NS/c1-7(2)8-5-12(3-4-13-8)6-9(10)11/h7-9H,3-6H2,1-2H3
InChIKeyOIEBQRIRRMFMSZ-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-4-(3-methylbutyl)thiomorpholine
CID 130726719
3-Ethylsulfanyl-4,4-difluoro-1-methylpiperidine
CID 146631131
1-Ethyl-3-ethylsulfanyl-4,4-difluoropiperidine
CID 166778105
4-Ethyl-3,3-difluoro-1-methyl-4-methylsulfanylpiperidine
CID 169625564
4,4-Difluoro-1-(3-methylsulfanylpropyl)piperidine
CID 169957773
2-[(2-Ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366467
2-[(2-Ethylthiomorpholin-4-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 103368024
1-(2-Ethylsulfanylethyl)-4-(trifluoromethyl)piperidine
CID 103714091
4-(3-Fluoropropyl)-2,2-dimethylthiomorpholine
CID 126995601
4-(3-Fluorobutyl)-2,2-dimethylthiomorpholine
CID 128361709
4,4-Difluoro-3-methyl-1-(2-methylsulfanylethyl)piperidine
CID 128444034
4-(2-Fluorobutyl)-3,3-dimethylthiomorpholine
CID 130660531

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine?
The IUPAC name of 4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine (CID 127000260) is 4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine.
What is the SMILES notation for 4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine?
The canonical SMILES for 4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine is CC(C)C1CN(CC(F)F)CCS1.
What is the InChIKey of 4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine?
The InChIKey is OIEBQRIRRMFMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NS/c1-7(2)8-5-12(3-4-13-8)6-9(10)11/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine?
4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine has a molecular weight of 209.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-2-propan-2-ylthiomorpholine is sourced from PubChem (CID 127000260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).