6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene

C10H14F2O — CID 123198704

IUPAC6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=CCC1OC(F)F
InChIInChI=1S/C10H14F2O/c1-2-5-8-6-3-4-7-9(8)13-10(11)12/h3-4,6,9-10H,2,5,7H2,1H3
InChIKeyUFZHIGXLPXRYLI-UHFFFAOYSA-N
MW188.22 g/mol
LogP3.28
Rot. Bonds4

About 6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene

6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene (PubChem CID 123198704) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is 6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene
PubChem CID123198704
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=CCC1OC(F)F
InChIInChI=1S/C10H14F2O/c1-2-5-8-6-3-4-7-9(8)13-10(11)12/h3-4,6,9-10H,2,5,7H2,1H3
InChIKeyUFZHIGXLPXRYLI-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R,6S)-5,6-diethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 134888606
(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 134889152
carbon monoxide;(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene;iron
CID 134899788
5-Methyl-2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
CID 68215925
2-Fluoro-6-methoxy-1-methylcyclohexa-1,3-diene
CID 68381504
2-Propan-2-yl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70831056
4,4-Difluoro-7-methyl-3-(trifluoromethyl)-1,3,5,6-tetrahydroisochromene
CID 71083788
m-Trifluoromethylallylbenzene oxide
CID 86735270
6-Fluoro-2-methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986443
2-Methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986472
5-Ethoxy-1-(fluoromethyl)cyclohexa-1,3-diene
CID 89153602
5-(Difluoromethoxy)-1-methylcyclohexa-1,3-diene
CID 89337031

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene?
The IUPAC name of 6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene (CID 123198704) is 6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene.
What is the SMILES notation for 6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene?
The canonical SMILES for 6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene is CCCC1=CC=CCC1OC(F)F.
What is the InChIKey of 6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene?
The InChIKey is UFZHIGXLPXRYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O/c1-2-5-8-6-3-4-7-9(8)13-10(11)12/h3-4,6,9-10H,2,5,7H2,1H3.
What are the key properties of 6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene?
6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene has a molecular weight of 188.22 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-1-propylcyclohexa-1,3-diene is sourced from PubChem (CID 123198704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).