4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid

C10H6F6O4 — CID 22971768

IUPAC4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1O
InChIInChI=1S/C10H6F6O4/c11-8(9(12,13)14)10(15,16)20-4-1-2-5(7(18)19)6(17)3-4/h1-3,8,17H,(H,18,19)
InChIKeyCIMKKYWXNOMOAR-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.96
Rot. Bonds4

About 4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid

4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid (PubChem CID 22971768) has the molecular formula C10H6F6O4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid
PubChem CID22971768
Molecular FormulaC10H6F6O4
Molecular Weight304.14 g/mol
Exact Mass304.02
IUPAC Name4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1O
InChIInChI=1S/C10H6F6O4/c11-8(9(12,13)14)10(15,16)20-4-1-2-5(7(18)19)6(17)3-4/h1-3,8,17H,(H,18,19)
InChIKeyCIMKKYWXNOMOAR-UHFFFAOYSA-N
XLogP2.96
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(1,1,2,3,3,3-hexafluoropropoxy)benzoic acid
CID 162396628
4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzoic acid
CID 56628976
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid
CID 10242483
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
2,4,5-trifluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)benzoic acid
CID 139617721
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
CID 14554243
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyloxy)-2-hydroxybenzoic acid
CID 71392583
3-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)benzoic acid
CID 56623025
2,4-dihydroxybenzoic acid
CID 1491
4-(difluoromethoxy)-2-hydroxybenzamide
CID 141002128

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid?
The IUPAC name of 4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid (CID 22971768) is 4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid is O=C(O)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1O.
What is the InChIKey of 4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid?
The InChIKey is CIMKKYWXNOMOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O4/c11-8(9(12,13)14)10(15,16)20-4-1-2-5(7(18)19)6(17)3-4/h1-3,8,17H,(H,18,19).
What are the key properties of 4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid?
4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid has a molecular weight of 304.14 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,3,3,3-hexafluoropropoxy)-2-hydroxybenzoic acid is sourced from PubChem (CID 22971768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).