CID 177267220

C17H23F2O2 — CID 177267220

IUPAC—
SMILESCCCOc1ccc([C]2CCC(CCC)OC2)c(F)c1F
InChIInChI=1S/C17H23F2O2/c1-3-5-13-7-6-12(11-21-13)14-8-9-15(20-10-4-2)17(19)16(14)18/h8-9,13H,3-7,10-11H2,1-2H3
InChIKeyLLBVLRYOTAGWJZ-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.66
Rot. Bonds6

About CID 177267220

CID 177267220 (PubChem CID 177267220) has the molecular formula C17H23F2O2 and a molecular weight of 297.37 g/mol.

Molecular Properties

Compound NameCID 177267220
PubChem CID177267220
Molecular FormulaC17H23F2O2
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name—
SMILESCCCOc1ccc([C]2CCC(CCC)OC2)c(F)c1F
InChIInChI=1S/C17H23F2O2/c1-3-5-13-7-6-12(11-21-13)14-8-9-15(20-10-4-2)17(19)16(14)18/h8-9,13H,3-7,10-11H2,1-2H3
InChIKeyLLBVLRYOTAGWJZ-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764610
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2-fluorophenyl]-2-propyloxane
CID 67733391
CID 164823730
CID 164823730
2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 142297541
5-[4-(2,3-difluoro-4-hexoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764628
5-[4-(2,3-difluoro-4-pentoxyphenyl)-3-fluorophenyl]-2-propyloxane
CID 126764872
5-[4-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 67733937
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2,3-difluorophenyl]-2-propyl-1,3-dioxane
CID 67736904
CID 170655048
CID 170655048
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2-fluorophenyl]-2-propyl-1,3-dioxane
CID 67736363
5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
CID 20581932

Frequently Asked Questions

What is the IUPAC name of CID 177267220?
The IUPAC name of CID 177267220 (CID 177267220) is not available.
What is the SMILES notation for CID 177267220?
The canonical SMILES for CID 177267220 is CCCOc1ccc([C]2CCC(CCC)OC2)c(F)c1F.
What is the InChIKey of CID 177267220?
The InChIKey is LLBVLRYOTAGWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2O2/c1-3-5-13-7-6-12(11-21-13)14-8-9-15(20-10-4-2)17(19)16(14)18/h8-9,13H,3-7,10-11H2,1-2H3.
What are the key properties of CID 177267220?
CID 177267220 has a molecular weight of 297.37 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177267220 is sourced from PubChem (CID 177267220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).