2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde

C16H14F2O2 — CID 172651355

IUPAC2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde
SMILESCCOc1ccc(-c2ccc(C(F)F)cc2)c(C=O)c1
InChIInChI=1S/C16H14F2O2/c1-2-20-14-7-8-15(13(9-14)10-19)11-3-5-12(6-4-11)16(17)18/h3-10,16H,2H2,1H3
InChIKeyANIZAJOWVKUXHD-UHFFFAOYSA-N
MW276.28 g/mol
LogP4.50
Rot. Bonds5

About 2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde

2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde (PubChem CID 172651355) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde
PubChem CID172651355
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde
SMILESCCOc1ccc(-c2ccc(C(F)F)cc2)c(C=O)c1
InChIInChI=1S/C16H14F2O2/c1-2-20-14-7-8-15(13(9-14)10-19)11-3-5-12(6-4-11)16(17)18/h3-10,16H,2H2,1H3
InChIKeyANIZAJOWVKUXHD-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 54.50
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

2-[4-(difluoromethyl)phenyl]-5-phenylmethoxybenzaldehyde
CID 172651354
3-[4-(difluoromethyl)phenyl]-4-ethoxybenzaldehyde
CID 172651369
2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde
CID 172651345
(4-ethoxy-2-formylphenyl)boronic acid
CID 52987974
2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde
CID 172653691
5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 103694158
4-[4-(difluoromethyl)phenyl]-2-methylbenzaldehyde
CID 172651393
3-[4-(difluoromethyl)phenyl]-5-propoxybenzaldehyde
CID 172651383
5-(difluoromethyl)-3-ethoxyphthalaldehyde
CID 171028088
2-[5-(difluoromethyl)-2-ethoxyphenyl]propanal
CID 134639427
5-(6-ethoxynaphthalen-2-yl)-2-hydroxybenzaldehyde
CID 122358652
2-(4-ethoxyphenyl)propanedial
CID 3698706

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde (CID 172651355) is 2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde is CCOc1ccc(-c2ccc(C(F)F)cc2)c(C=O)c1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde?
The InChIKey is ANIZAJOWVKUXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-2-20-14-7-8-15(13(9-14)10-19)11-3-5-12(6-4-11)16(17)18/h3-10,16H,2H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde?
2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde has a molecular weight of 276.28 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde is sourced from PubChem (CID 172651355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).