dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate

C14H17FO4 — CID 141177939

IUPACdipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate
SMILESCC(C)OC(=O)c1ccc(C(=O)OC(C)C)c(F)c1
InChIInChI=1S/C14H17FO4/c1-8(2)18-13(16)10-5-6-11(12(15)7-10)14(17)19-9(3)4/h5-9H,1-4H3
InChIKeyNSOFVVFVQMILEF-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.96
Rot. Bonds4

About dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate

dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate (PubChem CID 141177939) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate
PubChem CID141177939
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Namedipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate
SMILESCC(C)OC(=O)c1ccc(C(=O)OC(C)C)c(F)c1
InChIInChI=1S/C14H17FO4/c1-8(2)18-13(16)10-5-6-11(12(15)7-10)14(17)19-9(3)4/h5-9H,1-4H3
InChIKeyNSOFVVFVQMILEF-UHFFFAOYSA-N
XLogP2.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 146035224
propan-2-yl 2-fluoro-4-[4-(4-methylphenyl)benzoyl]oxybenzoate
CID 54299052
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
tris(1-propan-2-yloxyethyl) benzene-1,2,4-tricarboxylate
CID 58999421
4-(4-carboxy-3-propan-2-yloxycarbonylbenzoyl)-2-propan-2-yloxycarbonylbenzoic acid
CID 54551739
dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate
CID 21191991
propan-2-yl 2-amino-4,5-difluorobenzoate
CID 60835801
3-amino-4-propan-2-yloxycarbonylbenzoic acid
CID 154294271
propan-2-yl 4-acetylbenzoate
CID 10878303
propan-2-yl 3-chloro-4-hydroxybenzoate
CID 60643108
propan-2-yl 2-chloro-5-fluorobenzoate
CID 130658316
propan-2-yl 2-amino-3-fluoro-5-methylbenzoate
CID 60835805

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate?
The IUPAC name of dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate (CID 141177939) is dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate?
The canonical SMILES for dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate is CC(C)OC(=O)c1ccc(C(=O)OC(C)C)c(F)c1.
What is the InChIKey of dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate?
The InChIKey is NSOFVVFVQMILEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO4/c1-8(2)18-13(16)10-5-6-11(12(15)7-10)14(17)19-9(3)4/h5-9H,1-4H3.
What are the key properties of dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate?
dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate has a molecular weight of 268.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-fluorobenzene-1,4-dicarboxylate is sourced from PubChem (CID 141177939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).