methyl 2,3-difluoro-4-(4-propylphenyl)benzoate

C17H16F2O2 — CID 142331616

IUPACmethyl 2,3-difluoro-4-(4-propylphenyl)benzoate
SMILESCCCc1ccc(-c2ccc(C(=O)OC)c(F)c2F)cc1
InChIInChI=1S/C17H16F2O2/c1-3-4-11-5-7-12(8-6-11)13-9-10-14(17(20)21-2)16(19)15(13)18/h5-10H,3-4H2,1-2H3
InChIKeyODPGRCIENAJZDO-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.37
Rot. Bonds4

About methyl 2,3-difluoro-4-(4-propylphenyl)benzoate

methyl 2,3-difluoro-4-(4-propylphenyl)benzoate (PubChem CID 142331616) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is methyl 2,3-difluoro-4-(4-propylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 2,3-difluoro-4-(4-propylphenyl)benzoate
PubChem CID142331616
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Namemethyl 2,3-difluoro-4-(4-propylphenyl)benzoate
SMILESCCCc1ccc(-c2ccc(C(=O)OC)c(F)c2F)cc1
InChIInChI=1S/C17H16F2O2/c1-3-4-11-5-7-12(8-6-11)13-9-10-14(17(20)21-2)16(19)15(13)18/h5-10H,3-4H2,1-2H3
InChIKeyODPGRCIENAJZDO-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[2,3-difluoro-4-(4-propylphenyl)phenyl]benzoate
CID 142331543
methyl 4-[2-fluoro-4-(4-propylphenyl)phenyl]benzoate
CID 142331656
1,1,1-trifluoropentan-2-yl 2,3-difluoro-4-(4-octylphenyl)benzoate
CID 139786458
1-[3-fluoro-2-methyl-4-(4-propylphenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]ethanone
CID 118283753
1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331585
1,1,1-trifluorohexan-2-yl 2,3-difluoro-4-(4-pentylphenyl)benzoate
CID 139786521
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
methyl 5-(4-propylphenyl)-2-(trifluoromethoxy)benzoate
CID 71192054
2,3-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]-4-methoxybenzene
CID 121369846
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethanol
CID 118022111
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-difluoro-4-(4-propylphenyl)benzoate?
The IUPAC name of methyl 2,3-difluoro-4-(4-propylphenyl)benzoate (CID 142331616) is methyl 2,3-difluoro-4-(4-propylphenyl)benzoate.
What is the SMILES notation for methyl 2,3-difluoro-4-(4-propylphenyl)benzoate?
The canonical SMILES for methyl 2,3-difluoro-4-(4-propylphenyl)benzoate is CCCc1ccc(-c2ccc(C(=O)OC)c(F)c2F)cc1.
What is the InChIKey of methyl 2,3-difluoro-4-(4-propylphenyl)benzoate?
The InChIKey is ODPGRCIENAJZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-3-4-11-5-7-12(8-6-11)13-9-10-14(17(20)21-2)16(19)15(13)18/h5-10H,3-4H2,1-2H3.
What are the key properties of methyl 2,3-difluoro-4-(4-propylphenyl)benzoate?
methyl 2,3-difluoro-4-(4-propylphenyl)benzoate has a molecular weight of 290.31 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-difluoro-4-(4-propylphenyl)benzoate is sourced from PubChem (CID 142331616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).