2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran

C18H19F7O2 — CID 118359036

IUPAC2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran
SMILESCCCC1=COC(CCC(F)(F)Oc2cc(F)c(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C18H19F7O2/c1-2-3-11-4-5-12(26-10-11)6-7-17(21,22)27-13-8-14(19)16(15(20)9-13)18(23,24)25/h8-10,12H,2-7H2,1H3
InChIKeyVIPGLTQFIBMMIB-UHFFFAOYSA-N
MW400.33 g/mol
LogP6.60
Rot. Bonds7

About 2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran

2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran (PubChem CID 118359036) has the molecular formula C18H19F7O2 and a molecular weight of 400.33 g/mol. Its IUPAC name is 2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran
PubChem CID118359036
Molecular FormulaC18H19F7O2
Molecular Weight400.33 g/mol
Exact Mass400.13
IUPAC Name2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran
SMILESCCCC1=COC(CCC(F)(F)Oc2cc(F)c(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C18H19F7O2/c1-2-3-11-4-5-12(26-10-11)6-7-17(21,22)27-13-8-14(19)16(15(20)9-13)18(23,24)25/h8-10,12H,2-7H2,1H3
InChIKeyVIPGLTQFIBMMIB-UHFFFAOYSA-N
XLogP6.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.33
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20653816
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene
CID 122578021
2-[[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(4-pentylcyclohexyl)benzene
CID 89280295
5-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]butyl]-2-pentyl-3,4-dihydro-2H-pyran
CID 118358995
1-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118858470
2-(difluoromethoxy)-5-[1,1-difluoro-3-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]propoxy]-1,3-difluorobenzene
CID 59048932
2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-pentylbenzene
CID 22440512
2-[[4-[[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenoxy]-difluoromethyl]-3-fluorophenoxy]-difluoromethyl]-5-propyloxane
CID 89280353
2-[4-[3,3-difluoro-3-(3,4,5-trifluorophenoxy)propyl]-2,3-difluorophenyl]-5-propyloxane
CID 118858617
1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)benzene
CID 20654364
5-[2-[4-[4-[(Z)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexyl]ethyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-dioxane
CID 122578145
4-[1,1-difluoro-3-[4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexyl]propoxy]-1,2-difluorobenzene
CID 59048837

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran?
The IUPAC name of 2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran (CID 118359036) is 2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran is CCCC1=COC(CCC(F)(F)Oc2cc(F)c(C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran?
The InChIKey is VIPGLTQFIBMMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F7O2/c1-2-3-11-4-5-12(26-10-11)6-7-17(21,22)27-13-8-14(19)16(15(20)9-13)18(23,24)25/h8-10,12H,2-7H2,1H3.
What are the key properties of 2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran?
2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran has a molecular weight of 400.33 g/mol, XLogP of 6.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-5-propyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118359036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).