3-(2,5-difluoro-4-methoxyphenyl)propanal

C10H10F2O2 — CID 73014070

IUPAC3-(2,5-difluoro-4-methoxyphenyl)propanal
SMILESCOc1cc(F)c(CCC=O)cc1F
InChIInChI=1S/C10H10F2O2/c1-14-10-6-8(11)7(3-2-4-13)5-9(10)12/h4-6H,2-3H2,1H3
InChIKeyPRYFTMWNWYZQGT-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.10
Rot. Bonds4

About 3-(2,5-difluoro-4-methoxyphenyl)propanal

3-(2,5-difluoro-4-methoxyphenyl)propanal (PubChem CID 73014070) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-methoxyphenyl)propanal.

Molecular Properties

Compound Name3-(2,5-difluoro-4-methoxyphenyl)propanal
PubChem CID73014070
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name3-(2,5-difluoro-4-methoxyphenyl)propanal
SMILESCOc1cc(F)c(CCC=O)cc1F
InChIInChI=1S/C10H10F2O2/c1-14-10-6-8(11)7(3-2-4-13)5-9(10)12/h4-6H,2-3H2,1H3
InChIKeyPRYFTMWNWYZQGT-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.10
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-[2-(2,5-difluoro-4-methoxyphenyl)ethylamino]acetaldehyde
CID 115223282
3-(2,4,5-trifluoro-3-methoxyphenyl)propanal
CID 117117805
2-[2-(2,5-difluoro-4-methoxyphenyl)ethylamino]acetic acid
CID 112518457
N-[(5-fluoro-2,4-dimethoxyphenyl)methyl]formamide
CID 171538109
2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
CID 115171185
3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide
CID 116843529
1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168702
3-(4-bromo-3,5-difluoro-2-methoxyphenyl)propanal
CID 117447255
3-(3-bromo-2,6-difluoro-4-methoxyphenyl)propanal
CID 117447245
1-amino-3-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]urea
CID 115192963
4,5-dimethoxy-2-(3-oxopropyl)benzaldehyde
CID 117317867
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-methoxyphenyl)propanal?
The IUPAC name of 3-(2,5-difluoro-4-methoxyphenyl)propanal (CID 73014070) is 3-(2,5-difluoro-4-methoxyphenyl)propanal.
What is the SMILES notation for 3-(2,5-difluoro-4-methoxyphenyl)propanal?
The canonical SMILES for 3-(2,5-difluoro-4-methoxyphenyl)propanal is COc1cc(F)c(CCC=O)cc1F.
What is the InChIKey of 3-(2,5-difluoro-4-methoxyphenyl)propanal?
The InChIKey is PRYFTMWNWYZQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-14-10-6-8(11)7(3-2-4-13)5-9(10)12/h4-6H,2-3H2,1H3.
What are the key properties of 3-(2,5-difluoro-4-methoxyphenyl)propanal?
3-(2,5-difluoro-4-methoxyphenyl)propanal has a molecular weight of 200.18 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-methoxyphenyl)propanal is sourced from PubChem (CID 73014070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).