(Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one

C10H16F2O2 — CID 166896814

IUPAC(Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one
SMILESCO/C(=C\C(=O)C(C)(C)F)C(C)(C)F
InChIInChI=1S/C10H16F2O2/c1-9(2,11)7(13)6-8(14-5)10(3,4)12/h6H,1-5H3/b8-6-
InChIKeyWESMAWPWPOLEQH-VURMDHGXSA-N
MW206.23 g/mol
LogP2.58
Rot. Bonds4

About (Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one

(Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one (PubChem CID 166896814) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is (Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one
PubChem CID166896814
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name(Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one
SMILESCO/C(=C\C(=O)C(C)(C)F)C(C)(C)F
InChIInChI=1S/C10H16F2O2/c1-9(2,11)7(13)6-8(14-5)10(3,4)12/h6H,1-5H3/b8-6-
InChIKeyWESMAWPWPOLEQH-VURMDHGXSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one?
The IUPAC name of (Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one (CID 166896814) is (Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one.
What is the SMILES notation for (Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one?
The canonical SMILES for (Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one is CO/C(=C\C(=O)C(C)(C)F)C(C)(C)F.
What is the InChIKey of (Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one?
The InChIKey is WESMAWPWPOLEQH-VURMDHGXSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-9(2,11)7(13)6-8(14-5)10(3,4)12/h6H,1-5H3/b8-6-.
What are the key properties of (Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one?
(Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one has a molecular weight of 206.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one is sourced from PubChem (CID 166896814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).