5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde

C10H13FO2 — CID 142220231

IUPAC5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde
SMILESCC(C)OC1=C(F)CC(C=O)C=C1
InChIInChI=1S/C10H13FO2/c1-7(2)13-10-4-3-8(6-12)5-9(10)11/h3-4,6-8H,5H2,1-2H3
InChIKeyCQBJMGDVMKZJHW-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.37
Rot. Bonds3

About 5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde

5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 142220231) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde
PubChem CID142220231
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde
SMILESCC(C)OC1=C(F)CC(C=O)C=C1
InChIInChI=1S/C10H13FO2/c1-7(2)13-10-4-3-8(6-12)5-9(10)11/h3-4,6-8H,5H2,1-2H3
InChIKeyCQBJMGDVMKZJHW-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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
3-Chloro-4-ethoxy-5-fluorocyclohexa-2,4-diene-1-carbaldehyde
CID 88906292
4-Fluoro-3-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 123937767
2,6-difluoro-4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclohexa-2,4-diene-1-carbaldehyde
CID 143713239
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
4-(Trifluoromethoxy)cyclohexa-2,4-diene-1-carbaldehyde
CID 156030802
3-[(2E,4Z)-3-fluoro-6-methoxycycloocta-2,4,7-trien-1-yl]propanal
CID 173670657

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde (CID 142220231) is 5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde is CC(C)OC1=C(F)CC(C=O)C=C1.
What is the InChIKey of 5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is CQBJMGDVMKZJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-7(2)13-10-4-3-8(6-12)5-9(10)11/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde?
5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 184.21 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-propan-2-yloxycyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 142220231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).