(3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene

C14H25F — CID 167100921

IUPAC(3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene
SMILESCCC/C(=C\C(F)=C(/C)C(C)C)C(C)C
InChIInChI=1S/C14H25F/c1-7-8-13(11(4)5)9-14(15)12(6)10(2)3/h9-11H,7-8H2,1-6H3/b13-9+,14-12-
InChIKeyFMHRHQWUTUHKRI-CPUWGDESSA-N
MW212.35 g/mol
LogP5.27
Rot. Bonds5

About (3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene

(3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene (PubChem CID 167100921) has the molecular formula C14H25F and a molecular weight of 212.35 g/mol. Its IUPAC name is (3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene.

Molecular Properties

Compound Name(3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene
PubChem CID167100921
Molecular FormulaC14H25F
Molecular Weight212.35 g/mol
Exact Mass212.19
IUPAC Name(3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene
SMILESCCC/C(=C\C(F)=C(/C)C(C)C)C(C)C
InChIInChI=1S/C14H25F/c1-7-8-13(11(4)5)9-14(15)12(6)10(2)3/h9-11H,7-8H2,1-6H3/b13-9+,14-12-
InChIKeyFMHRHQWUTUHKRI-CPUWGDESSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.35
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 139998521
(E)-3-propan-2-ylhex-2-ene
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(3Z)-4-propan-2-ylhepta-1,3-dien-2-amine
CID 129269311
(E)-2-fluoro-N,3,4-trimethylpent-2-en-1-imine
CID 163527626
2,3,4-trimethyloct-3-ene
CID 123315350
2-ethylidenepentane-1,1-diol
CID 174458356
(Z)-3-fluoro-2-methylhex-3-ene
CID 23563725
1-fluoro-2,4-dimethylhept-3-ene
CID 155390379
(5Z)-6-propan-2-ylocta-5,7-dien-4-one
CID 177048553
2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene
CID 123882095
(E)-2,3-difluorohex-2-ene
CID 59809028
methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene?
The IUPAC name of (3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene (CID 167100921) is (3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene.
What is the SMILES notation for (3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene?
The canonical SMILES for (3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene is CCC/C(=C\C(F)=C(/C)C(C)C)C(C)C.
What is the InChIKey of (3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene?
The InChIKey is FMHRHQWUTUHKRI-CPUWGDESSA-N. The full InChI is InChI=1S/C14H25F/c1-7-8-13(11(4)5)9-14(15)12(6)10(2)3/h9-11H,7-8H2,1-6H3/b13-9+,14-12-.
What are the key properties of (3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene?
(3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene has a molecular weight of 212.35 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene is sourced from PubChem (CID 167100921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).