ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene

C16H33F — CID 143341985

IUPACethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene
SMILESC/C=C(\C)CC.C=C/C(F)=C/CC.CC.CC
InChIInChI=1S/C6H9F.C6H12.2C2H6/c1-3-5-6(7)4-2;1-4-6(3)5-2;2*1-2/h4-5H,2-3H2,1H3;4H,5H2,1-3H3;2*1-2H3/b6-5-;6-4+;;
InChIKeyOCRKXTLQOQCQOQ-ZQUSHYAPSA-N
MW244.44 g/mol
LogP6.85
Rot. Bonds3

About ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene

ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene (PubChem CID 143341985) has the molecular formula C16H33F and a molecular weight of 244.44 g/mol. Its IUPAC name is ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene.

Molecular Properties

Compound Nameethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene
PubChem CID143341985
Molecular FormulaC16H33F
Molecular Weight244.44 g/mol
Exact Mass244.26
IUPAC Nameethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene
SMILESC/C=C(\C)CC.C=C/C(F)=C/CC.CC.CC
InChIInChI=1S/C6H9F.C6H12.2C2H6/c1-3-5-6(7)4-2;1-4-6(3)5-2;2*1-2/h4-5H,2-3H2,1H3;4H,5H2,1-3H3;2*1-2H3/b6-5-;6-4+;;
InChIKeyOCRKXTLQOQCQOQ-ZQUSHYAPSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.44
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(E)-3-methylpent-2-ene
CID 144523626
3-methylpent-2-ene;zirconium
CID 174393280
methane;(Z)-3-methylpent-2-ene;prop-1-ene
CID 142993133
ethane;3-methylpent-2-ene;propane
CID 144514263
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
butane;ethane;3-methylpent-2-ene
CID 145294341
methane;(E)-3-methylhex-3-ene
CID 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
(2E)-3-fluoro-N,N-dimethylpenta-2,4-dien-1-amine
CID 169181661
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene?
The IUPAC name of ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene (CID 143341985) is ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene.
What is the SMILES notation for ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene?
The canonical SMILES for ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene is C/C=C(\C)CC.C=C/C(F)=C/CC.CC.CC.
What is the InChIKey of ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene?
The InChIKey is OCRKXTLQOQCQOQ-ZQUSHYAPSA-N. The full InChI is InChI=1S/C6H9F.C6H12.2C2H6/c1-3-5-6(7)4-2;1-4-6(3)5-2;2*1-2/h4-5H,2-3H2,1H3;4H,5H2,1-3H3;2*1-2H3/b6-5-;6-4+;;.
What are the key properties of ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene?
ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene has a molecular weight of 244.44 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-3-fluorohexa-1,3-diene;(E)-3-methylpent-2-ene is sourced from PubChem (CID 143341985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).