(Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine

C12H14F4N2OS — CID 129093045

IUPAC(Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine
SMILESCCS/C=C(\N)c1ccc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C12H14F4N2OS/c1-2-20-6-9(17)10-4-3-8(5-18-10)19-7-12(15,16)11(13)14/h3-6,11H,2,7,17H2,1H3/b9-6-
InChIKeyACZCTIMGVJNDNZ-TWGQIWQCSA-N
MW310.32 g/mol
LogP3.37
Rot. Bonds7

About (Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine

(Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine (PubChem CID 129093045) has the molecular formula C12H14F4N2OS and a molecular weight of 310.32 g/mol. Its IUPAC name is (Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine.

Molecular Properties

Compound Name(Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine
PubChem CID129093045
Molecular FormulaC12H14F4N2OS
Molecular Weight310.32 g/mol
Exact Mass310.08
IUPAC Name(Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine
SMILESCCS/C=C(\N)c1ccc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C12H14F4N2OS/c1-2-20-6-9(17)10-4-3-8(5-18-10)19-7-12(15,16)11(13)14/h3-6,11H,2,7,17H2,1H3/b9-6-
InChIKeyACZCTIMGVJNDNZ-TWGQIWQCSA-N
XLogP3.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone
CID 83119686
5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride
CID 121268116
N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine
CID 112584809
(1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine
CID 29004969
N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxamide
CID 123170904
5-ethylsulfonyl-1-methoxy-6-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridin-1-ium-3-amine
CID 146272189
6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde
CID 10779540
4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride
CID 12644770
S-[(Z)-2-amino-2-(5-ethyl-2-pyridinyl)ethenyl]thiohydroxylamine
CID 142831469
diethyl-[5-ethylsulfanyl-1-oxido-6-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]pyridin-1-ium-3-yl]imino-oxo-λ6-sulfane
CID 146272190
N-[6-[(1S,6S,7R)-9-amino-7,10,10-trimethyl-1-oxo-1λ6-thia-2,8-diazabicyclo[4.4.0]deca-1,8-dien-7-yl]-5-fluoro-2-pyridinyl]-5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxamide
CID 121278428
N-[5-[(1S,5S)-3-amino-1-(fluoromethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-6-fluoro-3-pyridinyl]-5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxamide
CID 126488177

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine?
The IUPAC name of (Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine (CID 129093045) is (Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine.
What is the SMILES notation for (Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine?
The canonical SMILES for (Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine is CCS/C=C(\N)c1ccc(OCC(F)(F)C(F)F)cn1.
What is the InChIKey of (Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine?
The InChIKey is ACZCTIMGVJNDNZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H14F4N2OS/c1-2-20-6-9(17)10-4-3-8(5-18-10)19-7-12(15,16)11(13)14/h3-6,11H,2,7,17H2,1H3/b9-6-.
What are the key properties of (Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine?
(Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine has a molecular weight of 310.32 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine is sourced from PubChem (CID 129093045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).