4-fluoro-4-methyloctane;2-methylbut-2-ene

C14H29F — CID 142363680

IUPAC4-fluoro-4-methyloctane;2-methylbut-2-ene
SMILESCC=C(C)C.CCCCC(C)(F)CCC
InChIInChI=1S/C9H19F.C5H10/c1-4-6-8-9(3,10)7-5-2;1-4-5(2)3/h4-8H2,1-3H3;4H,1-3H3
InChIKeyZDSYMFTVWZLYHZ-UHFFFAOYSA-N
MW216.38 g/mol
LogP5.68
Rot. Bonds5

About 4-fluoro-4-methyloctane;2-methylbut-2-ene

4-fluoro-4-methyloctane;2-methylbut-2-ene (PubChem CID 142363680) has the molecular formula C14H29F and a molecular weight of 216.38 g/mol. Its IUPAC name is 4-fluoro-4-methyloctane;2-methylbut-2-ene.

Molecular Properties

Compound Name4-fluoro-4-methyloctane;2-methylbut-2-ene
PubChem CID142363680
Molecular FormulaC14H29F
Molecular Weight216.38 g/mol
Exact Mass216.23
IUPAC Name4-fluoro-4-methyloctane;2-methylbut-2-ene
SMILESCC=C(C)C.CCCCC(C)(F)CCC
InChIInChI=1S/C9H19F.C5H10/c1-4-6-8-9(3,10)7-5-2;1-4-5(2)3/h4-8H2,1-3H3;4H,1-3H3
InChIKeyZDSYMFTVWZLYHZ-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.38
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-fluoro-4-methyloctane;2-methylbut-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2,6-dimethylundecane
CID 155274662
(E)-5,8-dimethyldodec-6-ene-5,8-diol
CID 22223420
2,2-dimethylhexane;tris(prop-1-ene)
CID 160899116
2-fluoro-2-methylhexadecan-1-ol
CID 139634379
ethane;2-fluoro-2-methylhexane
CID 142890341
6-butyl-6-fluoroundecane
CID 11424735
4-(trifluoromethyl)octan-4-ol
CID 89097510
2,2-dimethylbutane;2-methylbut-2-ene
CID 142603024
5,5-difluorononane
CID 21410163
2-fluoro-2-methylpentan-1-amine
CID 84716027
iron(3+);1,1,1-trifluoropentane
CID 161198772
3-fluoro-3-methylhexan-2-one
CID 157210993

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyloctane;2-methylbut-2-ene?
The IUPAC name of 4-fluoro-4-methyloctane;2-methylbut-2-ene (CID 142363680) is 4-fluoro-4-methyloctane;2-methylbut-2-ene.
What is the SMILES notation for 4-fluoro-4-methyloctane;2-methylbut-2-ene?
The canonical SMILES for 4-fluoro-4-methyloctane;2-methylbut-2-ene is CC=C(C)C.CCCCC(C)(F)CCC.
What is the InChIKey of 4-fluoro-4-methyloctane;2-methylbut-2-ene?
The InChIKey is ZDSYMFTVWZLYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F.C5H10/c1-4-6-8-9(3,10)7-5-2;1-4-5(2)3/h4-8H2,1-3H3;4H,1-3H3.
What are the key properties of 4-fluoro-4-methyloctane;2-methylbut-2-ene?
4-fluoro-4-methyloctane;2-methylbut-2-ene has a molecular weight of 216.38 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyloctane;2-methylbut-2-ene is sourced from PubChem (CID 142363680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).