2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde

C15H22F2O2 — CID 153389602

IUPAC2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde
SMILESCCCC1=CC(OC(F)F)=CC(CCC)C1CC=O
InChIInChI=1S/C15H22F2O2/c1-3-5-11-9-13(19-15(16)17)10-12(6-4-2)14(11)7-8-18/h8-11,14-15H,3-7H2,1-2H3
InChIKeyYSMWQCVRQPNLBQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP4.47
Rot. Bonds8

About 2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde

2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde (PubChem CID 153389602) has the molecular formula C15H22F2O2 and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde
PubChem CID153389602
Molecular FormulaC15H22F2O2
Molecular Weight272.33 g/mol
Exact Mass272.16
IUPAC Name2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde
SMILESCCCC1=CC(OC(F)F)=CC(CCC)C1CC=O
InChIInChI=1S/C15H22F2O2/c1-3-5-11-9-13(19-15(16)17)10-12(6-4-2)14(11)7-8-18/h8-11,14-15H,3-7H2,1-2H3
InChIKeyYSMWQCVRQPNLBQ-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde?
The IUPAC name of 2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde (CID 153389602) is 2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde is CCCC1=CC(OC(F)F)=CC(CCC)C1CC=O.
What is the InChIKey of 2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde?
The InChIKey is YSMWQCVRQPNLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O2/c1-3-5-11-9-13(19-15(16)17)10-12(6-4-2)14(11)7-8-18/h8-11,14-15H,3-7H2,1-2H3.
What are the key properties of 2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde?
2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde has a molecular weight of 272.33 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde is sourced from PubChem (CID 153389602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).