N-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine

C8H11F2NO2S — CID 164659792

IUPACN-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NCC2CC2(F)F)C1
InChIInChI=1S/C8H11F2NO2S/c9-8(10)3-6(8)4-11-7-1-2-14(12,13)5-7/h1-2,6-7,11H,3-5H2
InChIKeyRMGKAVGCNDIWTH-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.54
Rot. Bonds3

About N-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine

N-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 164659792) has the molecular formula C8H11F2NO2S and a molecular weight of 223.24 g/mol. Its IUPAC name is N-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID164659792
Molecular FormulaC8H11F2NO2S
Molecular Weight223.24 g/mol
Exact Mass223.05
IUPAC NameN-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NCC2CC2(F)F)C1
InChIInChI=1S/C8H11F2NO2S/c9-8(10)3-6(8)4-11-7-1-2-14(12,13)5-7/h1-2,6-7,11H,3-5H2
InChIKeyRMGKAVGCNDIWTH-UHFFFAOYSA-N
XLogP0.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Butylamino)-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 13809525
1,1-dioxo-N-(3,3,3-trifluoropropyl)-2,3-dihydrothiophen-3-amine
CID 60696570
1,1-dioxo-N-(2,2,2-trifluoroethyl)-2,3-dihydrothiophen-3-amine
CID 65706583
N-(2,2-difluoroethyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 65706981
N-(3-fluoropropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 81107076
N-(1,1-difluoropropan-2-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 102869686
2-[[(1,1-Dioxo-2,3-dihydrothiophen-3-yl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367362
1,1-dioxo-N-(6,6,6-trifluorohexan-2-yl)-2,3-dihydrothiophen-3-amine
CID 113533833
1,1-dioxo-N-(4,4,4-trifluorobutyl)-2,3-dihydrothiophen-3-amine
CID 115513774
1,1-dioxo-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydrothiophen-3-amine
CID 116615631
N-(2-methylpropyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 24102552
N-(3-methylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60694979

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 164659792) is N-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine is O=S1(=O)C=CC(NCC2CC2(F)F)C1.
What is the InChIKey of N-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is RMGKAVGCNDIWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2S/c9-8(10)3-6(8)4-11-7-1-2-14(12,13)5-7/h1-2,6-7,11H,3-5H2.
What are the key properties of N-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 223.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclopropyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 164659792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).