5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde

C10H8F2O2 — CID 117050983

IUPAC5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde
SMILESO=CC1CCc2c(F)cc(F)cc2O1
InChIInChI=1S/C10H8F2O2/c11-6-3-9(12)8-2-1-7(5-13)14-10(8)4-6/h3-5,7H,1-2H2
InChIKeyRVWIVVQTTUINCD-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.86
Rot. Bonds1

About 5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde

5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde (PubChem CID 117050983) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is 5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde.

Molecular Properties

Compound Name5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde
PubChem CID117050983
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde
SMILESO=CC1CCc2c(F)cc(F)cc2O1
InChIInChI=1S/C10H8F2O2/c11-6-3-9(12)8-2-1-7(5-13)14-10(8)4-6/h3-5,7H,1-2H2
InChIKeyRVWIVVQTTUINCD-UHFFFAOYSA-N
XLogP1.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.86
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

(2R)-3,4-dihydro-2H-chromene-2-carbaldehyde
CID 54208872
5,7-difluoro-3,4-dihydro-2H-chromene
CID 83397396
5-(3,5-difluorophenyl)oxolane-2-carbaldehyde
CID 130584670
(1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 130665257
2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate
CID 19434518
ethyl 2-[(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-formylamino]acetate
CID 19699354
5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 177309525
6,8-difluoro-3,4-dihydro-1H-isochromene
CID 67072865
6,8-difluoro-3,4-dihydro-2H-1-benzoxepin-5-one
CID 62785012
1-(6,8-difluoro-3,4-dihydro-2H-chromen-2-yl)ethanone
CID 117051043
2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine
CID 173112940
5,7-difluoro-2,3-dihydro-1-benzofuran
CID 2736964

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde?
The IUPAC name of 5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde (CID 117050983) is 5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde.
What is the SMILES notation for 5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde?
The canonical SMILES for 5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde is O=CC1CCc2c(F)cc(F)cc2O1.
What is the InChIKey of 5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde?
The InChIKey is RVWIVVQTTUINCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c11-6-3-9(12)8-2-1-7(5-13)14-10(8)4-6/h3-5,7H,1-2H2.
What are the key properties of 5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde?
5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde has a molecular weight of 198.17 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde is sourced from PubChem (CID 117050983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).