(3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene

C15H20F2O3 — CID 177207308

IUPAC(3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene
SMILESCC(C)CO[C@@H]1COc2cc(OC(F)F)ccc2[C@@H]1C
InChIInChI=1S/C15H20F2O3/c1-9(2)7-18-14-8-19-13-6-11(20-15(16)17)4-5-12(13)10(14)3/h4-6,9-10,14-15H,7-8H2,1-3H3/t10-,14+/m0/s1
InChIKeyGRPFRXNUXXMZKF-IINYFYTJSA-N
MW286.32 g/mol
LogP3.83
Rot. Bonds5

About (3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene

(3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene (PubChem CID 177207308) has the molecular formula C15H20F2O3 and a molecular weight of 286.32 g/mol. Its IUPAC name is (3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene
PubChem CID177207308
Molecular FormulaC15H20F2O3
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name(3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene
SMILESCC(C)CO[C@@H]1COc2cc(OC(F)F)ccc2[C@@H]1C
InChIInChI=1S/C15H20F2O3/c1-9(2)7-18-14-8-19-13-6-11(20-15(16)17)4-5-12(13)10(14)3/h4-6,9-10,14-15H,7-8H2,1-3H3/t10-,14+/m0/s1
InChIKeyGRPFRXNUXXMZKF-IINYFYTJSA-N
XLogP3.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene?
The IUPAC name of (3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene (CID 177207308) is (3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene.
What is the SMILES notation for (3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene?
The canonical SMILES for (3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene is CC(C)CO[C@@H]1COc2cc(OC(F)F)ccc2[C@@H]1C.
What is the InChIKey of (3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene?
The InChIKey is GRPFRXNUXXMZKF-IINYFYTJSA-N. The full InChI is InChI=1S/C15H20F2O3/c1-9(2)7-18-14-8-19-13-6-11(20-15(16)17)4-5-12(13)10(14)3/h4-6,9-10,14-15H,7-8H2,1-3H3/t10-,14+/m0/s1.
What are the key properties of (3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene?
(3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene has a molecular weight of 286.32 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 177207308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).