3,4-difluoro-5-methyl-6-methylidenedecan-2-ol

C12H22F2O — CID 142602407

IUPAC3,4-difluoro-5-methyl-6-methylidenedecan-2-ol
SMILESC=C(CCCC)C(C)C(F)C(F)C(C)O
InChIInChI=1S/C12H22F2O/c1-5-6-7-8(2)9(3)11(13)12(14)10(4)15/h9-12,15H,2,5-7H2,1,3-4H3
InChIKeyMJIXMNUCMZDRSC-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.43
Rot. Bonds7

About 3,4-difluoro-5-methyl-6-methylidenedecan-2-ol

3,4-difluoro-5-methyl-6-methylidenedecan-2-ol (PubChem CID 142602407) has the molecular formula C12H22F2O and a molecular weight of 220.30 g/mol. Its IUPAC name is 3,4-difluoro-5-methyl-6-methylidenedecan-2-ol.

Molecular Properties

Compound Name3,4-difluoro-5-methyl-6-methylidenedecan-2-ol
PubChem CID142602407
Molecular FormulaC12H22F2O
Molecular Weight220.30 g/mol
Exact Mass220.16
IUPAC Name3,4-difluoro-5-methyl-6-methylidenedecan-2-ol
SMILESC=C(CCCC)C(C)C(F)C(F)C(C)O
InChIInChI=1S/C12H22F2O/c1-5-6-7-8(2)9(3)11(13)12(14)10(4)15/h9-12,15H,2,5-7H2,1,3-4H3
InChIKeyMJIXMNUCMZDRSC-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-5-methyl-6-methylidenedecan-2-ol?
The IUPAC name of 3,4-difluoro-5-methyl-6-methylidenedecan-2-ol (CID 142602407) is 3,4-difluoro-5-methyl-6-methylidenedecan-2-ol.
What is the SMILES notation for 3,4-difluoro-5-methyl-6-methylidenedecan-2-ol?
The canonical SMILES for 3,4-difluoro-5-methyl-6-methylidenedecan-2-ol is C=C(CCCC)C(C)C(F)C(F)C(C)O.
What is the InChIKey of 3,4-difluoro-5-methyl-6-methylidenedecan-2-ol?
The InChIKey is MJIXMNUCMZDRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O/c1-5-6-7-8(2)9(3)11(13)12(14)10(4)15/h9-12,15H,2,5-7H2,1,3-4H3.
What are the key properties of 3,4-difluoro-5-methyl-6-methylidenedecan-2-ol?
3,4-difluoro-5-methyl-6-methylidenedecan-2-ol has a molecular weight of 220.30 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-5-methyl-6-methylidenedecan-2-ol is sourced from PubChem (CID 142602407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).