3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene

C12H14F2O — CID 59613675

IUPAC3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene
SMILESCC(C)c1ccc2c(c1)CC(F)(F)CO2
InChIInChI=1S/C12H14F2O/c1-8(2)9-3-4-11-10(5-9)6-12(13,14)7-15-11/h3-5,8H,6-7H2,1-2H3
InChIKeyWVNJCIMWUIYTHX-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.38
Rot. Bonds1

About 3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene

3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene (PubChem CID 59613675) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene.

Molecular Properties

Compound Name3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene
PubChem CID59613675
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene
SMILESCC(C)c1ccc2c(c1)CC(F)(F)CO2
InChIInChI=1S/C12H14F2O/c1-8(2)9-3-4-11-10(5-9)6-12(13,14)7-15-11/h3-5,8H,6-7H2,1-2H3
InChIKeyWVNJCIMWUIYTHX-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene?
The IUPAC name of 3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene (CID 59613675) is 3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene.
What is the SMILES notation for 3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene?
The canonical SMILES for 3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene is CC(C)c1ccc2c(c1)CC(F)(F)CO2.
What is the InChIKey of 3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene?
The InChIKey is WVNJCIMWUIYTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-8(2)9-3-4-11-10(5-9)6-12(13,14)7-15-11/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene?
3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene has a molecular weight of 212.24 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-propan-2-yl-2,4-dihydrochromene is sourced from PubChem (CID 59613675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).