7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene

C20H19F5O2 — CID 59795448

IUPAC7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene
SMILESCCCC1CCc2cc(-c3ccc(OC(F)(F)F)cc3)c(C(F)F)cc2O1
InChIInChI=1S/C20H19F5O2/c1-2-3-14-7-6-13-10-16(17(19(21)22)11-18(13)26-14)12-4-8-15(9-5-12)27-20(23,24)25/h4-5,8-11,14,19H,2-3,6-7H2,1H3
InChIKeyDETYQDVEBUYUJV-UHFFFAOYSA-N
MW386.36 g/mol
LogP6.68
Rot. Bonds5

About 7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene

7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene (PubChem CID 59795448) has the molecular formula C20H19F5O2 and a molecular weight of 386.36 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene
PubChem CID59795448
Molecular FormulaC20H19F5O2
Molecular Weight386.36 g/mol
Exact Mass386.13
IUPAC Name7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene
SMILESCCCC1CCc2cc(-c3ccc(OC(F)(F)F)cc3)c(C(F)F)cc2O1
InChIInChI=1S/C20H19F5O2/c1-2-3-14-7-6-13-10-16(17(19(21)22)11-18(13)26-14)12-4-8-15(9-5-12)27-20(23,24)25/h4-5,8-11,14,19H,2-3,6-7H2,1H3
InChIKeyDETYQDVEBUYUJV-UHFFFAOYSA-N
XLogP6.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.36
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene (CID 59795448) is 7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene is CCCC1CCc2cc(-c3ccc(OC(F)(F)F)cc3)c(C(F)F)cc2O1.
What is the InChIKey of 7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene?
The InChIKey is DETYQDVEBUYUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5O2/c1-2-3-14-7-6-13-10-16(17(19(21)22)11-18(13)26-14)12-4-8-15(9-5-12)27-20(23,24)25/h4-5,8-11,14,19H,2-3,6-7H2,1H3.
What are the key properties of 7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene?
7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene has a molecular weight of 386.36 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-propyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).