fluoro 4-propan-2-yloxybenzoate

C10H11FO3 — CID 174701102

IUPACfluoro 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OF)cc1
InChIInChI=1S/C10H11FO3/c1-7(2)13-9-5-3-8(4-6-9)10(12)14-11/h3-7H,1-2H3
InChIKeyTUNKGGYPOZWTHF-UHFFFAOYSA-N
MW198.19 g/mol
LogP2.52
Rot. Bonds3

About fluoro 4-propan-2-yloxybenzoate

fluoro 4-propan-2-yloxybenzoate (PubChem CID 174701102) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is fluoro 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Namefluoro 4-propan-2-yloxybenzoate
PubChem CID174701102
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Namefluoro 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OF)cc1
InChIInChI=1S/C10H11FO3/c1-7(2)13-9-5-3-8(4-6-9)10(12)14-11/h3-7H,1-2H3
InChIKeyTUNKGGYPOZWTHF-UHFFFAOYSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-propan-2-yloxybenzoyl)oxybenzoic acid
CID 54854478
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
CID 62961699
methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate
CID 155173763
2-oxo-2-(4-propan-2-yloxyphenyl)acetamide
CID 116924444
2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 22111343
2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 114037996
2-methyl-3-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116918210
cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate
CID 173265927
benzyl 4-propan-2-yloxybenzoate
CID 70079883
(4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79757463
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275

Frequently Asked Questions

What is the IUPAC name of fluoro 4-propan-2-yloxybenzoate?
The IUPAC name of fluoro 4-propan-2-yloxybenzoate (CID 174701102) is fluoro 4-propan-2-yloxybenzoate.
What is the SMILES notation for fluoro 4-propan-2-yloxybenzoate?
The canonical SMILES for fluoro 4-propan-2-yloxybenzoate is CC(C)Oc1ccc(C(=O)OF)cc1.
What is the InChIKey of fluoro 4-propan-2-yloxybenzoate?
The InChIKey is TUNKGGYPOZWTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-7(2)13-9-5-3-8(4-6-9)10(12)14-11/h3-7H,1-2H3.
What are the key properties of fluoro 4-propan-2-yloxybenzoate?
fluoro 4-propan-2-yloxybenzoate has a molecular weight of 198.19 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-propan-2-yloxybenzoate is sourced from PubChem (CID 174701102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).