8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene

C12H14F2O — CID 59795057

IUPAC8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
SMILESCc1cc2c(c(C(F)F)c1)OC(C)CC2
InChIInChI=1S/C12H14F2O/c1-7-5-9-4-3-8(2)15-11(9)10(6-7)12(13)14/h5-6,8,12H,3-4H2,1-2H3
InChIKeyMWRYBVNLZNWHLT-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.65
Rot. Bonds1

About 8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene

8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene (PubChem CID 59795057) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
PubChem CID59795057
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
SMILESCc1cc2c(c(C(F)F)c1)OC(C)CC2
InChIInChI=1S/C12H14F2O/c1-7-5-9-4-3-8(2)15-11(9)10(6-7)12(13)14/h5-6,8,12H,3-4H2,1-2H3
InChIKeyMWRYBVNLZNWHLT-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Flavan
CID 94156
3,4-Dihydro-6-methyl-2H-1-benzopyran-4-ol
CID 12328973
Chroman
CID 136319
2,2-Dimethylchroman
CID 136936
Benzene, 2-methoxy-1,3,5-trimethyl-
CID 77648
4,4-Dimethylchroman
CID 316763
2-Methylchroman
CID 380149
4-Benzyloxybenzotrifluoride
CID 2798168
2-(2,2-Dimethylchroman-6-yl)ethanol
CID 45269350
2,2-Dimethyl-6-vinylchromene
CID 56672574
3,4-Dihydro-8-methyl-2H-1-benzopyran-4-ol
CID 64981907
(2S)-flavan
CID 1232441

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene?
The IUPAC name of 8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene (CID 59795057) is 8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene is Cc1cc2c(c(C(F)F)c1)OC(C)CC2.
What is the InChIKey of 8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene?
The InChIKey is MWRYBVNLZNWHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-7-5-9-4-3-8(2)15-11(9)10(6-7)12(13)14/h5-6,8,12H,3-4H2,1-2H3.
What are the key properties of 8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene?
8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene has a molecular weight of 212.24 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).