(3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene

C13H23F — CID 134578289

IUPAC(3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene
SMILESC=C/C(=C\C(C)(C)C(C)(C)F)C(C)C
InChIInChI=1S/C13H23F/c1-8-11(10(2)3)9-12(4,5)13(6,7)14/h8-10H,1H2,2-7H3/b11-9+
InChIKeyXGWRFACVFGNMNX-PKNBQFBNSA-N
MW198.32 g/mol
LogP4.53
Rot. Bonds4

About (3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene

(3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene (PubChem CID 134578289) has the molecular formula C13H23F and a molecular weight of 198.32 g/mol. Its IUPAC name is (3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene
PubChem CID134578289
Molecular FormulaC13H23F
Molecular Weight198.32 g/mol
Exact Mass198.18
IUPAC Name(3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene
SMILESC=C/C(=C\C(C)(C)C(C)(C)F)C(C)C
InChIInChI=1S/C13H23F/c1-8-11(10(2)3)9-12(4,5)13(6,7)14/h8-10H,1H2,2-7H3/b11-9+
InChIKeyXGWRFACVFGNMNX-PKNBQFBNSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 54.53
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

ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine
CID 174337124
(2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene
CID 155261834
(3Z,5Z)-7-fluoro-3-propan-2-ylhepta-1,3,5-triene
CID 129119795
N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]propan-2-imine
CID 91546308
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
(4Z)-2-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine
CID 138459729
(3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene
CID 162612401
(2Z)-N,3-di(propan-2-yl)penta-2,4-dien-1-amine
CID 166807119
N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
CID 170144613
4,4-difluoropent-1-en-3-one
CID 89392918

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene?
The IUPAC name of (3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene (CID 134578289) is (3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene.
What is the SMILES notation for (3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene?
The canonical SMILES for (3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene is C=C/C(=C\C(C)(C)C(C)(C)F)C(C)C.
What is the InChIKey of (3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene?
The InChIKey is XGWRFACVFGNMNX-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H23F/c1-8-11(10(2)3)9-12(4,5)13(6,7)14/h8-10H,1H2,2-7H3/b11-9+.
What are the key properties of (3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene?
(3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene has a molecular weight of 198.32 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene is sourced from PubChem (CID 134578289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).