2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene

C19H18F4O — CID 58660569

IUPAC2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene
SMILESCCCc1cc(F)c(-c2ccc3c(c2)CCC(C(F)F)O3)c(F)c1
InChIInChI=1S/C19H18F4O/c1-2-3-11-8-14(20)18(15(21)9-11)13-5-6-16-12(10-13)4-7-17(24-16)19(22)23/h5-6,8-10,17,19H,2-4,7H2,1H3
InChIKeyUJPCZOZWAIVGDH-UHFFFAOYSA-N
MW338.34 g/mol
LogP5.54
Rot. Bonds4

About 2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene

2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene (PubChem CID 58660569) has the molecular formula C19H18F4O and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene
PubChem CID58660569
Molecular FormulaC19H18F4O
Molecular Weight338.34 g/mol
Exact Mass338.13
IUPAC Name2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene
SMILESCCCc1cc(F)c(-c2ccc3c(c2)CCC(C(F)F)O3)c(F)c1
InChIInChI=1S/C19H18F4O/c1-2-3-11-8-14(20)18(15(21)9-11)13-5-6-16-12(10-13)4-7-17(24-16)19(22)23/h5-6,8-10,17,19H,2-4,7H2,1H3
InChIKeyUJPCZOZWAIVGDH-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.34
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene (CID 58660569) is 2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene is CCCc1cc(F)c(-c2ccc3c(c2)CCC(C(F)F)O3)c(F)c1.
What is the InChIKey of 2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene?
The InChIKey is UJPCZOZWAIVGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4O/c1-2-3-11-8-14(20)18(15(21)9-11)13-5-6-16-12(10-13)4-7-17(24-16)19(22)23/h5-6,8-10,17,19H,2-4,7H2,1H3.
What are the key properties of 2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene?
2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene has a molecular weight of 338.34 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-(2,6-difluoro-4-propylphenyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 58660569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).