3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal

C10H10F2O2 — CID 134621601

IUPAC3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal
SMILESO=CCCc1cccc(C(F)F)c1O
InChIInChI=1S/C10H10F2O2/c11-10(12)8-5-1-3-7(9(8)14)4-2-6-13/h1,3,5-6,10,14H,2,4H2
InChIKeyMPTBHADLLSAALD-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.46
Rot. Bonds4

About 3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal

3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal (PubChem CID 134621601) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal.

Molecular Properties

Compound Name3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal
PubChem CID134621601
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal
SMILESO=CCCc1cccc(C(F)F)c1O
InChIInChI=1S/C10H10F2O2/c11-10(12)8-5-1-3-7(9(8)14)4-2-6-13/h1,3,5-6,10,14H,2,4H2
InChIKeyMPTBHADLLSAALD-UHFFFAOYSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoro-2-hydroxyphenyl)propanal
CID 117276587
3-[2-(difluoromethoxy)-3-hydroxyphenyl]propanal
CID 134621112
3-[2-(difluoromethyl)-3-iodophenyl]propanal
CID 134621173
3-(difluoromethyl)-2-(3-oxopropyl)benzaldehyde
CID 118809362
3-[2-(difluoromethyl)-3-(trifluoromethyl)phenyl]propanal
CID 134621169
2-[3-(difluoromethyl)-4-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656671
3-(3-fluoro-2,4-dihydroxyphenyl)propanal
CID 117279746
2-hydroxy-2-[2-(3-oxopropyl)phenyl]acetic acid
CID 118852502
2-(difluoromethyl)-6-hydroxybenzaldehyde
CID 84654276
2-[4-(difluoromethyl)-2-(3-oxopropyl)phenyl]acetic acid
CID 118846843
3-[3-fluoro-2-(1-fluoroethyl)phenyl]propanal
CID 117287739
3-[3-chloro-2-(1-fluoroethyl)phenyl]propanal
CID 117305936

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal?
The IUPAC name of 3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal (CID 134621601) is 3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal.
What is the SMILES notation for 3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal?
The canonical SMILES for 3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal is O=CCCc1cccc(C(F)F)c1O.
What is the InChIKey of 3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal?
The InChIKey is MPTBHADLLSAALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c11-10(12)8-5-1-3-7(9(8)14)4-2-6-13/h1,3,5-6,10,14H,2,4H2.
What are the key properties of 3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal?
3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal has a molecular weight of 200.18 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)-2-hydroxyphenyl]propanal is sourced from PubChem (CID 134621601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).