2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene

C18H20F2O2 — CID 19799924

IUPAC2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
SMILESCCCOc1ccc(-c2ccc(OCCC)c(F)c2)cc1F
InChIInChI=1S/C18H20F2O2/c1-3-9-21-17-7-5-13(11-15(17)19)14-6-8-18(16(20)12-14)22-10-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyLPHZXEDVCWKNAL-UHFFFAOYSA-N
MW306.35 g/mol
LogP5.21
Rot. Bonds7

About 2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene

2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene (PubChem CID 19799924) has the molecular formula C18H20F2O2 and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene.

Molecular Properties

Compound Name2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
PubChem CID19799924
Molecular FormulaC18H20F2O2
Molecular Weight306.35 g/mol
Exact Mass306.14
IUPAC Name2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
SMILESCCCOc1ccc(-c2ccc(OCCC)c(F)c2)cc1F
InChIInChI=1S/C18H20F2O2/c1-3-9-21-17-7-5-13(11-15(17)19)14-6-8-18(16(20)12-14)22-10-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyLPHZXEDVCWKNAL-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.35
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde
CID 21252414
2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene
CID 174492898
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 23391143
2-ethoxy-5-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 69110371
4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene
CID 18960186
2-fluoro-4-propan-2-yl-1-propoxybenzene
CID 67978486
1-butoxy-2-fluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 23391139
2-fluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene
CID 101490841
2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene
CID 57117774
4-fluoro-3-(3-fluoro-4-propoxyphenyl)benzoic acid
CID 143190556
1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
CID 134386235

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene?
The IUPAC name of 2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene (CID 19799924) is 2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene.
What is the SMILES notation for 2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene?
The canonical SMILES for 2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene is CCCOc1ccc(-c2ccc(OCCC)c(F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene?
The InChIKey is LPHZXEDVCWKNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2O2/c1-3-9-21-17-7-5-13(11-15(17)19)14-6-8-18(16(20)12-14)22-10-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene?
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene has a molecular weight of 306.35 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene is sourced from PubChem (CID 19799924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).