1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene

C10H18F2O — CID 126663650

IUPAC1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene
SMILESCOCCC(C)C(C)CC=C(F)F
InChIInChI=1S/C10H18F2O/c1-8(4-5-10(11)12)9(2)6-7-13-3/h5,8-9H,4,6-7H2,1-3H3
InChIKeyHHFWHCWQRJRRFI-UHFFFAOYSA-N
MW192.25 g/mol
LogP3.47
Rot. Bonds6

About 1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene

1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene (PubChem CID 126663650) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene.

Molecular Properties

Compound Name1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene
PubChem CID126663650
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene
SMILESCOCCC(C)C(C)CC=C(F)F
InChIInChI=1S/C10H18F2O/c1-8(4-5-10(11)12)9(2)6-7-13-3/h5,8-9H,4,6-7H2,1-3H3
InChIKeyHHFWHCWQRJRRFI-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene?
The IUPAC name of 1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene (CID 126663650) is 1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene.
What is the SMILES notation for 1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene?
The canonical SMILES for 1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene is COCCC(C)C(C)CC=C(F)F.
What is the InChIKey of 1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene?
The InChIKey is HHFWHCWQRJRRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-8(4-5-10(11)12)9(2)6-7-13-3/h5,8-9H,4,6-7H2,1-3H3.
What are the key properties of 1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene?
1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene has a molecular weight of 192.25 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-7-methoxy-4,5-dimethylhept-1-ene is sourced from PubChem (CID 126663650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).