2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde

C15H16F2O2 — CID 143713239

IUPAC2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde
SMILESC=C/C=C(\C=C/C)COC1=CC(F)C(C=O)C(F)=C1
InChIInChI=1S/C15H16F2O2/c1-3-5-11(6-4-2)10-19-12-7-14(16)13(9-18)15(17)8-12/h3-9,13-14H,1,10H2,2H3/b6-4-,11-5+
InChIKeyPVENNBXLZHIVRX-NQTKGXIKSA-N
MW266.29 g/mol
LogP3.60
Rot. Bonds6

About 2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde

2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 143713239) has the molecular formula C15H16F2O2 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde
PubChem CID143713239
Molecular FormulaC15H16F2O2
Molecular Weight266.29 g/mol
Exact Mass266.11
IUPAC Name2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde
SMILESC=C/C=C(\C=C/C)COC1=CC(F)C(C=O)C(F)=C1
InChIInChI=1S/C15H16F2O2/c1-3-5-11(6-4-2)10-19-12-7-14(16)13(9-18)15(17)8-12/h3-9,13-14H,1,10H2,2H3/b6-4-,11-5+
InChIKeyPVENNBXLZHIVRX-NQTKGXIKSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-Ethoxy-1-fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 22615128
6-Fluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 87141474
4,6-Difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 87216344
4-Fluoro-3-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 123937767
5-Fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde
CID 142220231
6-Fluoro-4-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 153699656
6-Fluoro-6-propoxycyclohexa-2,4-diene-1-carbaldehyde
CID 153911207
5,6-Difluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 154439195
6-Butoxy-2,6-difluorocyclohexa-2,4-diene-1-carbaldehyde
CID 155286489
(1S)-2-[(2Z,4E)-4-fluoro-6-methylhepta-2,4,6-trienoxy]-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde
CID 155417065
4-(Trifluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde
CID 156030802
3-Cyclopropoxy-6-fluorocyclohexa-2,4-dienecarbaldehyde
CID 72225115

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde (CID 143713239) is 2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde is C=C/C=C(\C=C/C)COC1=CC(F)C(C=O)C(F)=C1.
What is the InChIKey of 2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is PVENNBXLZHIVRX-NQTKGXIKSA-N. The full InChI is InChI=1S/C15H16F2O2/c1-3-5-11(6-4-2)10-19-12-7-14(16)13(9-18)15(17)8-12/h3-9,13-14H,1,10H2,2H3/b6-4-,11-5+.
What are the key properties of 2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde?
2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 266.29 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 143713239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).