5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane

C12H21F3O — CID 163548353

IUPAC5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane
SMILESC=C(CCCOCC(C)C(F)(F)F)C(C)C
InChIInChI=1S/C12H21F3O/c1-9(2)10(3)6-5-7-16-8-11(4)12(13,14)15/h9,11H,3,5-8H2,1-2,4H3
InChIKeyFGYKZMWILFFFNN-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.19
Rot. Bonds7

About 5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane

5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane (PubChem CID 163548353) has the molecular formula C12H21F3O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane.

Molecular Properties

Compound Name5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane
PubChem CID163548353
Molecular FormulaC12H21F3O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane
SMILESC=C(CCCOCC(C)C(F)(F)F)C(C)C
InChIInChI=1S/C12H21F3O/c1-9(2)10(3)6-5-7-16-8-11(4)12(13,14)15/h9,11H,3,5-8H2,1-2,4H3
InChIKeyFGYKZMWILFFFNN-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-5-(2,3,3,3-tetrafluoro-2-methylpropoxy)-2-(trifluoromethyl)pent-1-ene
CID 58936755
3-Methyl-7-(trifluoromethoxy)hept-1-ene
CID 89263479
3-(Difluoromethylidene)-1-methoxy-4-methylhexane
CID 144519455
4-(1,1,1-Trifluoro-3-methylbut-3-en-2-yl)oxane
CID 155106226
(3R,5R)-3-(methoxymethyl)-2-methyl-5-(trifluoromethyl)hept-1-ene
CID 169848737
(4R)-1,1,1-trifluoro-4-(methoxymethyl)-3-methylideneoctane
CID 169848762
(4S,5S)-4-(methoxymethyl)-2-methyl-5-(trifluoromethyl)oct-1-ene
CID 169849119
(4R)-5,5-difluoro-4-(methoxymethyl)-2-methyloct-1-ene
CID 169849120
(3R,4S)-3-(methoxymethyl)-2-methyl-4-(trifluoromethyl)hept-1-ene
CID 169851348
6,6-Difluoro-4-(methoxymethyl)-2-methyloct-1-ene
CID 169851658
4,4-Difluoro-3-prop-1-en-2-yloxane
CID 172270782
3,3-Difluoro-4-(3-methylbut-3-enyl)oxolane;methane
CID 177992048

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane?
The IUPAC name of 5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane (CID 163548353) is 5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane.
What is the SMILES notation for 5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane?
The canonical SMILES for 5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane is C=C(CCCOCC(C)C(F)(F)F)C(C)C.
What is the InChIKey of 5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane?
The InChIKey is FGYKZMWILFFFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O/c1-9(2)10(3)6-5-7-16-8-11(4)12(13,14)15/h9,11H,3,5-8H2,1-2,4H3.
What are the key properties of 5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane?
5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane has a molecular weight of 238.29 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidene-1-(3,3,3-trifluoro-2-methylpropoxy)hexane is sourced from PubChem (CID 163548353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).