3,3-difluoro-4-methyl-2,4-dihydrochromene

C10H10F2O — CID 156843702

IUPAC3,3-difluoro-4-methyl-2,4-dihydrochromene
SMILESCC1c2ccccc2OCC1(F)F
InChIInChI=1S/C10H10F2O/c1-7-8-4-2-3-5-9(8)13-6-10(7,11)12/h2-5,7H,6H2,1H3
InChIKeyYSUSLEALEQFDSB-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.82
Rot. Bonds

About 3,3-difluoro-4-methyl-2,4-dihydrochromene

3,3-difluoro-4-methyl-2,4-dihydrochromene (PubChem CID 156843702) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-2,4-dihydrochromene.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-2,4-dihydrochromene
PubChem CID156843702
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name3,3-difluoro-4-methyl-2,4-dihydrochromene
SMILESCC1c2ccccc2OCC1(F)F
InChIInChI=1S/C10H10F2O/c1-7-8-4-2-3-5-9(8)13-6-10(7,11)12/h2-5,7H,6H2,1H3
InChIKeyYSUSLEALEQFDSB-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane
CID 156843570
3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane
CID 156843641
(2R,3aR,9bS)-2-methyl-3a-phenyl-2,3,4,9b-tetrahydro-1H-cyclopenta[c]chromene
CID 102482088
2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]
CID 20801257
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3,3-difluoro-2H-1,4-benzodioxine
CID 58599177
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene
CID 166752875
(4R)-4-(2-bromophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171187559
5-chloro-3,3-difluoro-4-propan-2-yl-2,4-dihydrochromene
CID 166752785
(4R)-5,5-difluoro-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187816

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-2,4-dihydrochromene?
The IUPAC name of 3,3-difluoro-4-methyl-2,4-dihydrochromene (CID 156843702) is 3,3-difluoro-4-methyl-2,4-dihydrochromene.
What is the SMILES notation for 3,3-difluoro-4-methyl-2,4-dihydrochromene?
The canonical SMILES for 3,3-difluoro-4-methyl-2,4-dihydrochromene is CC1c2ccccc2OCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methyl-2,4-dihydrochromene?
The InChIKey is YSUSLEALEQFDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-7-8-4-2-3-5-9(8)13-6-10(7,11)12/h2-5,7H,6H2,1H3.
What are the key properties of 3,3-difluoro-4-methyl-2,4-dihydrochromene?
3,3-difluoro-4-methyl-2,4-dihydrochromene has a molecular weight of 184.19 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-2,4-dihydrochromene is sourced from PubChem (CID 156843702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).