1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene

C10H14F2O — CID 143526898

IUPAC1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene
SMILESCCC1=CC=C(OC(C)(F)F)CC1
InChIInChI=1S/C10H14F2O/c1-3-8-4-6-9(7-5-8)13-10(2,11)12/h4,6H,3,5,7H2,1-2H3
InChIKeyLMNAFSFQCXSBIK-UHFFFAOYSA-N
MW188.22 g/mol
LogP3.63
Rot. Bonds3

About 1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene

1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene (PubChem CID 143526898) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene
PubChem CID143526898
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene
SMILESCCC1=CC=C(OC(C)(F)F)CC1
InChIInChI=1S/C10H14F2O/c1-3-8-4-6-9(7-5-8)13-10(2,11)12/h4,6H,3,5,7H2,1-2H3
InChIKeyLMNAFSFQCXSBIK-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methoxy-3-methylenecyclohexene
CID 137710
1-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 18671954
2-Chloro-4-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 23137236
1-Methoxy-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 23137248
(7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene
CID 89189819
1-Methyl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 89192273
1-Ethoxy-4,4-difluorocyclohexene
CID 90862971
1-Ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene
CID 90997546
1-Propan-2-yl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 91084115
1-(2-Methylprop-2-enoxy)-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 91219396
2-Methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 121446234
1-[3,3-Difluoro-3-(5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-dien-1-yl)oxypropyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
CID 121476225

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene?
The IUPAC name of 1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene (CID 143526898) is 1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene?
The canonical SMILES for 1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene is CCC1=CC=C(OC(C)(F)F)CC1.
What is the InChIKey of 1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene?
The InChIKey is LMNAFSFQCXSBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O/c1-3-8-4-6-9(7-5-8)13-10(2,11)12/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene?
1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene has a molecular weight of 188.22 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-4-ethylcyclohexa-1,3-diene is sourced from PubChem (CID 143526898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).