3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde

C11H7F5O2 — CID 174668791

IUPAC3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde
SMILESO=CC1c2ccc(C(F)(F)F)cc2OCC1(F)F
InChIInChI=1S/C11H7F5O2/c12-10(13)5-18-9-3-6(11(14,15)16)1-2-7(9)8(10)4-17/h1-4,8H,5H2
InChIKeySDHYCPHVJTZWAR-UHFFFAOYSA-N
MW266.17 g/mol
LogP3.02
Rot. Bonds1

About 3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde

3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde (PubChem CID 174668791) has the molecular formula C11H7F5O2 and a molecular weight of 266.17 g/mol. Its IUPAC name is 3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde.

Molecular Properties

Compound Name3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde
PubChem CID174668791
Molecular FormulaC11H7F5O2
Molecular Weight266.17 g/mol
Exact Mass266.04
IUPAC Name3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde
SMILESO=CC1c2ccc(C(F)(F)F)cc2OCC1(F)F
InChIInChI=1S/C11H7F5O2/c12-10(13)5-18-9-3-6(11(14,15)16)1-2-7(9)8(10)4-17/h1-4,8H,5H2
InChIKeySDHYCPHVJTZWAR-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 53.02
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

Benzaldehyde, 3-(1,1,2,2-tetrafluoroethoxy)-
CID 118803
3,4-dihydro-2H-1-benzopyran-4-carbaldehyde
CID 18399749
3,4-dihydro-2H-1-benzopyran-3-carbaldehyde
CID 53275981
3,4-Dihydro-2H-1-benzopyran-5-carboxaldehyde
CID 18787481
3,4-dihydro-2H-1-benzopyran-7-carbaldehyde
CID 60209734
2-(2-(Trifluoromethoxy)phenyl)propanal
CID 156587470
(E)-3-[(2S,4R)-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]-2-methylprop-2-enal
CID 163193633
1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 18399727
1-(2,3-Dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethan-1-one
CID 130630651
(3S,4R)-3-fluorospiro[2,3-dihydrochromene-4,2'-cyclopentane]-1'-one
CID 122220880
Methyl 3,3,3-trifluoro-2-methoxy-2-(4-trifluoromethylphenyl) propionate
CID 134821324
2-(1,1,2,2,3,3,3-Heptafluoropropyl)-7-methylchromen-4-one
CID 134830531

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde?
The IUPAC name of 3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde (CID 174668791) is 3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde.
What is the SMILES notation for 3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde?
The canonical SMILES for 3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde is O=CC1c2ccc(C(F)(F)F)cc2OCC1(F)F.
What is the InChIKey of 3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde?
The InChIKey is SDHYCPHVJTZWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5O2/c12-10(13)5-18-9-3-6(11(14,15)16)1-2-7(9)8(10)4-17/h1-4,8H,5H2.
What are the key properties of 3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde?
3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde has a molecular weight of 266.17 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde is sourced from PubChem (CID 174668791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).