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

C12H13F3O — CID 166752875

IUPAC3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene
SMILESCC(C)C1c2cc(F)ccc2OCC1(F)F
InChIInChI=1S/C12H13F3O/c1-7(2)11-9-5-8(13)3-4-10(9)16-6-12(11,14)15/h3-5,7,11H,6H2,1-2H3
InChIKeySXEWCLOLCXNJNZ-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.59
Rot. Bonds1

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

3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene (PubChem CID 166752875) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene.

Molecular Properties

Compound Name3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene
PubChem CID166752875
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene
SMILESCC(C)C1c2cc(F)ccc2OCC1(F)F
InChIInChI=1S/C12H13F3O/c1-7(2)11-9-5-8(13)3-4-10(9)16-6-12(11,14)15/h3-5,7,11H,6H2,1-2H3
InChIKeySXEWCLOLCXNJNZ-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-3,3-difluoro-4-propan-2-yl-2,4-dihydrochromene
CID 166752785
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83906491
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117201926
3,3-difluoro-4-methyl-2,4-dihydrochromene
CID 156843702
(4S)-5,5-difluoro-4-(5-fluoro-2-methylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171186566
ethane;6-fluoro-3-methyl-2,3-dihydro-1,4-benzodioxine
CID 144624453
(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58740911
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
CID 22012245
7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43511971
(4R)-4-(2-chloro-5-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one
CID 171188059
6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114708664

Frequently Asked Questions

What is the IUPAC name of 3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene?
The IUPAC name of 3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene (CID 166752875) is 3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene.
What is the SMILES notation for 3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene?
The canonical SMILES for 3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene is CC(C)C1c2cc(F)ccc2OCC1(F)F.
What is the InChIKey of 3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene?
The InChIKey is SXEWCLOLCXNJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-7(2)11-9-5-8(13)3-4-10(9)16-6-12(11,14)15/h3-5,7,11H,6H2,1-2H3.
What are the key properties of 3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene?
3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene has a molecular weight of 230.23 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trifluoro-4-propan-2-yl-2,4-dihydrochromene is sourced from PubChem (CID 166752875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).