N-(2,2-difluoroethyl)thiane-3-carboxamide

C8H13F2NOS — CID 130678335

IUPACN-(2,2-difluoroethyl)thiane-3-carboxamide
SMILESO=C(NCC(F)F)C1CCCSC1
InChIInChI=1S/C8H13F2NOS/c9-7(10)4-11-8(12)6-2-1-3-13-5-6/h6-7H,1-5H2,(H,11,12)
InChIKeySBDPCVXEBCSEFO-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.51
Rot. Bonds3

About N-(2,2-difluoroethyl)thiane-3-carboxamide

N-(2,2-difluoroethyl)thiane-3-carboxamide (PubChem CID 130678335) has the molecular formula C8H13F2NOS and a molecular weight of 209.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)thiane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)thiane-3-carboxamide
PubChem CID130678335
Molecular FormulaC8H13F2NOS
Molecular Weight209.26 g/mol
Exact Mass209.07
IUPAC NameN-(2,2-difluoroethyl)thiane-3-carboxamide
SMILESO=C(NCC(F)F)C1CCCSC1
InChIInChI=1S/C8H13F2NOS/c9-7(10)4-11-8(12)6-2-1-3-13-5-6/h6-7H,1-5H2,(H,11,12)
InChIKeySBDPCVXEBCSEFO-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-prop-2-enylthiane-3-carboxamide
CID 110848141
N-(2-methylpropyl)thiolane-3-carboxamide
CID 64592330
N-(2-phenylethyl)thiane-3-carboxamide
CID 110852294
N-cyclohexylthiane-3-carboxamide
CID 110848935
N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide
CID 64542327
2-(2,2-difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103979066
N-(2-oxopropyl)thiolane-3-carboxamide
CID 64997229
(2R)-N-(2,2-difluoroethyl)azetidine-2-carboxamide
CID 130742348
N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
CID 64911749
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide
CID 115362677
N-(4-acetamidophenyl)thiane-3-carboxamide
CID 110861474
1-[(thiolane-3-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115432922

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)thiane-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)thiane-3-carboxamide (CID 130678335) is N-(2,2-difluoroethyl)thiane-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)thiane-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)thiane-3-carboxamide is O=C(NCC(F)F)C1CCCSC1.
What is the InChIKey of N-(2,2-difluoroethyl)thiane-3-carboxamide?
The InChIKey is SBDPCVXEBCSEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NOS/c9-7(10)4-11-8(12)6-2-1-3-13-5-6/h6-7H,1-5H2,(H,11,12).
What are the key properties of N-(2,2-difluoroethyl)thiane-3-carboxamide?
N-(2,2-difluoroethyl)thiane-3-carboxamide has a molecular weight of 209.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)thiane-3-carboxamide is sourced from PubChem (CID 130678335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).