3-fluoro-2,3-dimethyl-4-methylidenehexane

C9H17F — CID 143721817

IUPAC3-fluoro-2,3-dimethyl-4-methylidenehexane
SMILESC=C(CC)C(C)(F)C(C)C
InChIInChI=1S/C9H17F/c1-6-8(4)9(5,10)7(2)3/h7H,4,6H2,1-3,5H3
InChIKeyBEWGIPOXKUNFBZ-UHFFFAOYSA-N
MW144.23 g/mol
LogP3.34
Rot. Bonds3

About 3-fluoro-2,3-dimethyl-4-methylidenehexane

3-fluoro-2,3-dimethyl-4-methylidenehexane (PubChem CID 143721817) has the molecular formula C9H17F and a molecular weight of 144.23 g/mol. Its IUPAC name is 3-fluoro-2,3-dimethyl-4-methylidenehexane.

Molecular Properties

Compound Name3-fluoro-2,3-dimethyl-4-methylidenehexane
PubChem CID143721817
Molecular FormulaC9H17F
Molecular Weight144.23 g/mol
Exact Mass144.13
IUPAC Name3-fluoro-2,3-dimethyl-4-methylidenehexane
SMILESC=C(CC)C(C)(F)C(C)C
InChIInChI=1S/C9H17F/c1-6-8(4)9(5,10)7(2)3/h7H,4,6H2,1-3,5H3
InChIKeyBEWGIPOXKUNFBZ-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-methylidenepentane;ethene
CID 145286133
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-10-methylidenedodecane
CID 175317846
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962
2-chloro-2-fluoro-3-methylbutane
CID 88897527
2-(trifluoromethoxy)but-1-ene
CID 90210903
3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene
CID 144809560
2-fluoro-2,3-dimethyl-1-(2-methylbutylphosphanyl)butan-1-one
CID 138672233
2,3,4-trimethylpentan-3-yl 2-methylidenebutanoate
CID 156770773
N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine
CID 134526755
2,3,3,5-tetramethyl-4-methylidenehexane
CID 90998218
2-fluoro-3-methylidenepentane
CID 89209317

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,3-dimethyl-4-methylidenehexane?
The IUPAC name of 3-fluoro-2,3-dimethyl-4-methylidenehexane (CID 143721817) is 3-fluoro-2,3-dimethyl-4-methylidenehexane.
What is the SMILES notation for 3-fluoro-2,3-dimethyl-4-methylidenehexane?
The canonical SMILES for 3-fluoro-2,3-dimethyl-4-methylidenehexane is C=C(CC)C(C)(F)C(C)C.
What is the InChIKey of 3-fluoro-2,3-dimethyl-4-methylidenehexane?
The InChIKey is BEWGIPOXKUNFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F/c1-6-8(4)9(5,10)7(2)3/h7H,4,6H2,1-3,5H3.
What are the key properties of 3-fluoro-2,3-dimethyl-4-methylidenehexane?
3-fluoro-2,3-dimethyl-4-methylidenehexane has a molecular weight of 144.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,3-dimethyl-4-methylidenehexane is sourced from PubChem (CID 143721817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).