4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine

C9H8F3NS — CID 154269112

IUPAC4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine
SMILESFC(F)=C(F)CCSc1ccncc1
InChIInChI=1S/C9H8F3NS/c10-8(9(11)12)3-6-14-7-1-4-13-5-2-7/h1-2,4-5H,3,6H2
InChIKeyWSVVPNALFYWAPY-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.64
Rot. Bonds4

About 4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine

4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine (PubChem CID 154269112) has the molecular formula C9H8F3NS and a molecular weight of 219.23 g/mol. Its IUPAC name is 4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine.

Molecular Properties

Compound Name4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine
PubChem CID154269112
Molecular FormulaC9H8F3NS
Molecular Weight219.23 g/mol
Exact Mass219.03
IUPAC Name4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine
SMILESFC(F)=C(F)CCSc1ccncc1
InChIInChI=1S/C9H8F3NS/c10-8(9(11)12)3-6-14-7-1-4-13-5-2-7/h1-2,4-5H,3,6H2
InChIKeyWSVVPNALFYWAPY-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyridin-4-yl-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-oxadiazole
CID 1487991
4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride
CID 159237641
3-pyridin-4-ylsulfanylpropan-1-ol
CID 19079134
2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene
CID 11276152
tert-butyl 3-pyridin-4-ylsulfanylpropanoate
CID 116662596
9-pyridin-4-ylsulfanylnonanoic acid
CID 139664242
6-pyridin-4-ylsulfanylhexan-3-one
CID 104623642
4-(3-pyridin-4-ylsulfanylpropanoyl)piperazine-1-carboxylic acid
CID 57231998
1-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)imidazole
CID 1484823
4-octadecylsulfanylpyridine
CID 177449547
4-pent-4-ynylsulfanylpyridine
CID 115871094
2-(3,4,4-trifluorobut-3-enylsulfanyl)quinoxaline
CID 1481113

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine?
The IUPAC name of 4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine (CID 154269112) is 4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine.
What is the SMILES notation for 4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine?
The canonical SMILES for 4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine is FC(F)=C(F)CCSc1ccncc1.
What is the InChIKey of 4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine?
The InChIKey is WSVVPNALFYWAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NS/c10-8(9(11)12)3-6-14-7-1-4-13-5-2-7/h1-2,4-5H,3,6H2.
What are the key properties of 4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine?
4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine has a molecular weight of 219.23 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine is sourced from PubChem (CID 154269112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).