5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde

C10H7F5O2 — CID 18677608

IUPAC5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde
SMILESCC(F)(F)c1ccc(OC(F)(F)F)c(C=O)c1
InChIInChI=1S/C10H7F5O2/c1-9(11,12)7-2-3-8(6(4-7)5-16)17-10(13,14)15/h2-5H,1H3
InChIKeyRSLGPBBFVBZNSN-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.51
Rot. Bonds3

About 5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde

5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde (PubChem CID 18677608) has the molecular formula C10H7F5O2 and a molecular weight of 254.15 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde
PubChem CID18677608
Molecular FormulaC10H7F5O2
Molecular Weight254.15 g/mol
Exact Mass254.04
IUPAC Name5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde
SMILESCC(F)(F)c1ccc(OC(F)(F)F)c(C=O)c1
InChIInChI=1S/C10H7F5O2/c1-9(11,12)7-2-3-8(6(4-7)5-16)17-10(13,14)15/h2-5H,1H3
InChIKeyRSLGPBBFVBZNSN-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.51
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

3-formyl-4-(trifluoromethoxy)benzamide
CID 170998150
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314
2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
CID 157049199
2,4-ditert-butyl-1-(trifluoromethoxy)benzene
CID 164683677
2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzaldehyde
CID 154643775
2-(trifluoromethoxy)terephthalaldehyde
CID 170999220
5-[bis(3-formyl-4-methoxyphenyl)-hydroxymethyl]-2-methoxybenzaldehyde
CID 71479368
2-(4-tert-butyl-2-formylphenoxy)acetonitrile
CID 151195831
2-methoxy-5-(2-methylbut-3-en-2-yl)benzaldehyde
CID 11333181
3-methyl-4-(trifluoromethoxy)benzaldehyde
CID 88929764
2-chloro-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119019372
2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119015810

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde (CID 18677608) is 5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde is CC(F)(F)c1ccc(OC(F)(F)F)c(C=O)c1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde?
The InChIKey is RSLGPBBFVBZNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O2/c1-9(11,12)7-2-3-8(6(4-7)5-16)17-10(13,14)15/h2-5H,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde?
5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde has a molecular weight of 254.15 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 18677608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).