1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene

C10H14F2O — CID 91509624

IUPAC1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=C(F)C(F)C(C(C)C)C=C1
InChIInChI=1S/C10H14F2O/c1-6(2)7-4-5-8(13-3)10(12)9(7)11/h4-7,9H,1-3H3
InChIKeyXHYFWALGTVNUEJ-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.99
Rot. Bonds2

About 1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene

1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 91509624) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is 1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID91509624
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=C(F)C(F)C(C(C)C)C=C1
InChIInChI=1S/C10H14F2O/c1-6(2)7-4-5-8(13-3)10(12)9(7)11/h4-7,9H,1-3H3
InChIKeyXHYFWALGTVNUEJ-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene
CID 145335
1-Propan-2-yl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 19028649
3-Fluoro-2-methoxy-5-(2-methylpropyl)cyclohexa-1,3-diene
CID 59432808
5-(4-Ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene
CID 66612983
1-Fluoro-3-methoxy-5-propan-2-ylcyclohexa-1,3-diene
CID 67557004
1-Fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
CID 67557170
1-Fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67557926
5-Methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 67967853
(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67991602
1,3-Difluoro-2-methoxy-5-methylcyclohexa-1,3-diene
CID 68261099
3-Fluoro-2-methoxy-5-methylcyclohexa-1,3-diene
CID 68261100
(6R)-1,3-difluoro-2-methoxy-6-methylcyclohepta-1,3-diene
CID 68261563

Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene (CID 91509624) is 1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene is COC1=C(F)C(F)C(C(C)C)C=C1.
What is the InChIKey of 1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is XHYFWALGTVNUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O/c1-6(2)7-4-5-8(13-3)10(12)9(7)11/h4-7,9H,1-3H3.
What are the key properties of 1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 188.22 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 91509624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).