2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene

C14H26F2O — CID 76738466

IUPAC2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene
SMILESCC(C)CCCCC=CC(F)(F)COC(C)C
InChIInChI=1S/C14H26F2O/c1-12(2)9-7-5-6-8-10-14(15,16)11-17-13(3)4/h8,10,12-13H,5-7,9,11H2,1-4H3
InChIKeyQTPIHMOKDYWYTL-UHFFFAOYSA-N
MW248.36 g/mol
LogP4.82
Rot. Bonds9

About 2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene

2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene (PubChem CID 76738466) has the molecular formula C14H26F2O and a molecular weight of 248.36 g/mol. Its IUPAC name is 2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene.

Molecular Properties

Compound Name2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene
PubChem CID76738466
Molecular FormulaC14H26F2O
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene
SMILESCC(C)CCCCC=CC(F)(F)COC(C)C
InChIInChI=1S/C14H26F2O/c1-12(2)9-7-5-6-8-10-14(15,16)11-17-13(3)4/h8,10,12-13H,5-7,9,11H2,1-4H3
InChIKeyQTPIHMOKDYWYTL-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.82
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

(E)-2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene
CID 58275557
(E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene
CID 58275575
(E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene
CID 58275581
(E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene
CID 58275582
2,2-Difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene
CID 76738455
2,2-Difluoro-6-methyl-1-propan-2-yloxyhept-3-ene
CID 76738461
2,2-Difluoro-7-methyl-1-propan-2-yloxyoct-3-ene
CID 76738465
2,3-Dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene
CID 91235536
(E)-1-ethoxy-2,2-difluoro-8,8-dimethylnon-3-ene
CID 118527040
(E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene
CID 118527058
(E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene
CID 118527061
(Z,3R,7R)-2,2,7-trimethyl-3-(trifluoromethoxy)dec-5-ene
CID 148212353

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene?
The IUPAC name of 2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene (CID 76738466) is 2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene.
What is the SMILES notation for 2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene?
The canonical SMILES for 2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene is CC(C)CCCCC=CC(F)(F)COC(C)C.
What is the InChIKey of 2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene?
The InChIKey is QTPIHMOKDYWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O/c1-12(2)9-7-5-6-8-10-14(15,16)11-17-13(3)4/h8,10,12-13H,5-7,9,11H2,1-4H3.
What are the key properties of 2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene?
2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene has a molecular weight of 248.36 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene is sourced from PubChem (CID 76738466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).