3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene

C12H13F3O — CID 58660370

IUPAC3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene
SMILESCc1ccc2c(c1)OC(C)C(C)(F)C2(F)F
InChIInChI=1S/C12H13F3O/c1-7-4-5-9-10(6-7)16-8(2)11(3,13)12(9,14)15/h4-6,8H,1-3H3
InChIKeyOOPMYPWORCALKV-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.60
Rot. Bonds

About 3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene

3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene (PubChem CID 58660370) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene.

Molecular Properties

Compound Name3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene
PubChem CID58660370
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene
SMILESCc1ccc2c(c1)OC(C)C(C)(F)C2(F)F
InChIInChI=1S/C12H13F3O/c1-7-4-5-9-10(6-7)16-8(2)11(3,13)12(9,14)15/h4-6,8H,1-3H3
InChIKeyOOPMYPWORCALKV-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene?
The IUPAC name of 3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene (CID 58660370) is 3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene.
What is the SMILES notation for 3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene?
The canonical SMILES for 3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene is Cc1ccc2c(c1)OC(C)C(C)(F)C2(F)F.
What is the InChIKey of 3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene?
The InChIKey is OOPMYPWORCALKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-7-4-5-9-10(6-7)16-8(2)11(3,13)12(9,14)15/h4-6,8H,1-3H3.
What are the key properties of 3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene?
3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene has a molecular weight of 230.23 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trifluoro-2,3,7-trimethyl-2H-chromene is sourced from PubChem (CID 58660370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).