2-(2-fluoronona-1,5-dien-4-yl)thietane

C12H19FS — CID 91247320

IUPAC2-(2-fluoronona-1,5-dien-4-yl)thietane
SMILESC=C(F)CC(C=CCCC)C1CCS1
InChIInChI=1S/C12H19FS/c1-3-4-5-6-11(9-10(2)13)12-7-8-14-12/h5-6,11-12H,2-4,7-9H2,1H3
InChIKeyWNOOGCDZLOAFEN-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.34
Rot. Bonds6

About 2-(2-fluoronona-1,5-dien-4-yl)thietane

2-(2-fluoronona-1,5-dien-4-yl)thietane (PubChem CID 91247320) has the molecular formula C12H19FS and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(2-fluoronona-1,5-dien-4-yl)thietane.

Molecular Properties

Compound Name2-(2-fluoronona-1,5-dien-4-yl)thietane
PubChem CID91247320
Molecular FormulaC12H19FS
Molecular Weight214.35 g/mol
Exact Mass214.12
IUPAC Name2-(2-fluoronona-1,5-dien-4-yl)thietane
SMILESC=C(F)CC(C=CCCC)C1CCS1
InChIInChI=1S/C12H19FS/c1-3-4-5-6-11(9-10(2)13)12-7-8-14-12/h5-6,11-12H,2-4,7-9H2,1H3
InChIKeyWNOOGCDZLOAFEN-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2-(fluoromethyl)-4-methyl-6-propan-2-yl-3,4-dihydro-2H-thiopyran
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CID 163608875
4-(1-Fluoro-2-methylprop-1-enyl)-3-methyl-8-propylsulfanyloct-1-ene
CID 166651444
4-ethenyl-3-[(2R,3S)-3-fluorobutan-2-yl]-2-methyl-2H-thiete
CID 173888634
2,6-Dimethyl-8-propan-2-ylsulfanyloct-2-ene
CID 14689106
(6Z)-2,3-dimethyl-3,4,5,8-tetrahydro-2H-thiocine
CID 58293737
5-methyl-3-[(Z)-3-methylpent-2-enyl]sulfanylcyclohexene
CID 70911061
6-Methyl-1-propylsulfanylhept-2-ene
CID 91067684
3-(2-Propan-2-ylsulfanylethyl)cyclobutene
CID 91223274
4-Methyl-1-propylsulfanylcyclohexene
CID 123603397
3,4,6-Trimethyl-5-prop-1-en-2-ylsulfanylcyclohexene
CID 129156202
(Z)-4-ethyl-6-methyl-5-methylsulfanylhept-2-ene
CID 130287962

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoronona-1,5-dien-4-yl)thietane?
The IUPAC name of 2-(2-fluoronona-1,5-dien-4-yl)thietane (CID 91247320) is 2-(2-fluoronona-1,5-dien-4-yl)thietane.
What is the SMILES notation for 2-(2-fluoronona-1,5-dien-4-yl)thietane?
The canonical SMILES for 2-(2-fluoronona-1,5-dien-4-yl)thietane is C=C(F)CC(C=CCCC)C1CCS1.
What is the InChIKey of 2-(2-fluoronona-1,5-dien-4-yl)thietane?
The InChIKey is WNOOGCDZLOAFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FS/c1-3-4-5-6-11(9-10(2)13)12-7-8-14-12/h5-6,11-12H,2-4,7-9H2,1H3.
What are the key properties of 2-(2-fluoronona-1,5-dien-4-yl)thietane?
2-(2-fluoronona-1,5-dien-4-yl)thietane has a molecular weight of 214.35 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoronona-1,5-dien-4-yl)thietane is sourced from PubChem (CID 91247320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).