(4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol

C10H16F2S — CID 143682823

IUPAC(4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol
SMILESCC/C=C/C=C\CC(C)C(F)(F)S
InChIInChI=1S/C10H16F2S/c1-3-4-5-6-7-8-9(2)10(11,12)13/h4-7,9,13H,3,8H2,1-2H3/b5-4+,7-6-
InChIKeyFYLGGRPZRBZPGM-DEQVHDEQSA-N
MW206.30 g/mol
LogP4.06
Rot. Bonds5

About (4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol

(4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol (PubChem CID 143682823) has the molecular formula C10H16F2S and a molecular weight of 206.30 g/mol. Its IUPAC name is (4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol.

Molecular Properties

Compound Name(4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol
PubChem CID143682823
Molecular FormulaC10H16F2S
Molecular Weight206.30 g/mol
Exact Mass206.09
IUPAC Name(4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol
SMILESCC/C=C/C=C\CC(C)C(F)(F)S
InChIInChI=1S/C10H16F2S/c1-3-4-5-6-7-8-9(2)10(11,12)13/h4-7,9,13H,3,8H2,1-2H3/b5-4+,7-6-
InChIKeyFYLGGRPZRBZPGM-DEQVHDEQSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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(1E,3Z,5E)-1-chloroocta-1,3,5-triene
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octa-3,5-dien-2-ol
CID 543636
(Z)-1,1,1-trifluorohept-4-en-2-amine
CID 55283427
10-methylundeca-3,7-diene
CID 91333064
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CID 176664146
dichloro(hepta-2,4-dienyl)silane
CID 175071544
(E,5S)-5,6,6-trimethylhept-3-ene
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Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol?
The IUPAC name of (4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol (CID 143682823) is (4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol.
What is the SMILES notation for (4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol?
The canonical SMILES for (4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol is CC/C=C/C=C\CC(C)C(F)(F)S.
What is the InChIKey of (4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol?
The InChIKey is FYLGGRPZRBZPGM-DEQVHDEQSA-N. The full InChI is InChI=1S/C10H16F2S/c1-3-4-5-6-7-8-9(2)10(11,12)13/h4-7,9,13H,3,8H2,1-2H3/b5-4+,7-6-.
What are the key properties of (4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol?
(4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol has a molecular weight of 206.30 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-1,1-difluoro-2-methylnona-4,6-diene-1-thiol is sourced from PubChem (CID 143682823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).