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

C10H10F2O2 — CID 105452631

IUPAC3,3-difluoro-3-(4-methoxyphenyl)propanal
SMILESCOc1ccc(C(F)(F)CC=O)cc1
InChIInChI=1S/C10H10F2O2/c1-14-9-4-2-8(3-5-9)10(11,12)6-7-13/h2-5,7H,6H2,1H3
InChIKeyDLOOKQHDWUUEPL-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.38
Rot. Bonds4

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

3,3-difluoro-3-(4-methoxyphenyl)propanal (PubChem CID 105452631) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 3,3-difluoro-3-(4-methoxyphenyl)propanal.

Molecular Properties

Compound Name3,3-difluoro-3-(4-methoxyphenyl)propanal
PubChem CID105452631
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name3,3-difluoro-3-(4-methoxyphenyl)propanal
SMILESCOc1ccc(C(F)(F)CC=O)cc1
InChIInChI=1S/C10H10F2O2/c1-14-9-4-2-8(3-5-9)10(11,12)6-7-13/h2-5,7H,6H2,1H3
InChIKeyDLOOKQHDWUUEPL-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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

(3S)-3-hydroxy-3-(4-methoxyphenyl)butanal
CID 97030756
(3R)-3-(4-methoxyphenyl)-3-methylhexanal
CID 102367487
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
2,2-difluoro-3-(4-methoxyphenyl)propanal
CID 54572596
3,3-difluoro-3-[3-methoxy-4-(4-methylphenyl)phenyl]propanal
CID 142387203
(3R)-3-diethoxyphosphoryl-3-hydroxy-3-(4-methoxyphenyl)propanal
CID 135069234
(2S)-2-hydroxy-4-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentanal
CID 129383802
2-chloro-2-(4-methoxyphenyl)propanal
CID 174937779
1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene
CID 15272442
3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanal
CID 10082931
3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanal
CID 143030464
1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one
CID 101453821

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(4-methoxyphenyl)propanal?
The IUPAC name of 3,3-difluoro-3-(4-methoxyphenyl)propanal (CID 105452631) is 3,3-difluoro-3-(4-methoxyphenyl)propanal.
What is the SMILES notation for 3,3-difluoro-3-(4-methoxyphenyl)propanal?
The canonical SMILES for 3,3-difluoro-3-(4-methoxyphenyl)propanal is COc1ccc(C(F)(F)CC=O)cc1.
What is the InChIKey of 3,3-difluoro-3-(4-methoxyphenyl)propanal?
The InChIKey is DLOOKQHDWUUEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-14-9-4-2-8(3-5-9)10(11,12)6-7-13/h2-5,7H,6H2,1H3.
What are the key properties of 3,3-difluoro-3-(4-methoxyphenyl)propanal?
3,3-difluoro-3-(4-methoxyphenyl)propanal has a molecular weight of 200.18 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(4-methoxyphenyl)propanal is sourced from PubChem (CID 105452631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).