4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol

C10H16F2O — CID 11074197

IUPAC4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol
SMILESC=CC(C)(C)C(F)(F)C(C)(O)C=C
InChIInChI=1S/C10H16F2O/c1-6-8(3,4)10(11,12)9(5,13)7-2/h6-7,13H,1-2H2,3-5H3
InChIKeyJHCKLXVDWFSFRC-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.77
Rot. Bonds4

About 4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol

4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol (PubChem CID 11074197) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol.

Molecular Properties

Compound Name4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol
PubChem CID11074197
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol
SMILESC=CC(C)(C)C(F)(F)C(C)(O)C=C
InChIInChI=1S/C10H16F2O/c1-6-8(3,4)10(11,12)9(5,13)7-2/h6-7,13H,1-2H2,3-5H3
InChIKeyJHCKLXVDWFSFRC-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.77
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 4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol?
The IUPAC name of 4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol (CID 11074197) is 4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol.
What is the SMILES notation for 4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol?
The canonical SMILES for 4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol is C=CC(C)(C)C(F)(F)C(C)(O)C=C.
What is the InChIKey of 4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol?
The InChIKey is JHCKLXVDWFSFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-6-8(3,4)10(11,12)9(5,13)7-2/h6-7,13H,1-2H2,3-5H3.
What are the key properties of 4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol?
4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol has a molecular weight of 190.23 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3,5,5-trimethylhepta-1,6-dien-3-ol is sourced from PubChem (CID 11074197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).