1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid

C14H11F3O3 — CID 62034235

IUPAC1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1OCCC(F)(F)F
InChIInChI=1S/C14H11F3O3/c15-14(16,17)7-8-20-12-10-4-2-1-3-9(10)5-6-11(12)13(18)19/h1-6H,7-8H2,(H,18,19)
InChIKeyGDPAOPDOHSUVJV-UHFFFAOYSA-N
MW284.23 g/mol
LogP3.87
Rot. Bonds4

About 1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid

1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid (PubChem CID 62034235) has the molecular formula C14H11F3O3 and a molecular weight of 284.23 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid
PubChem CID62034235
Molecular FormulaC14H11F3O3
Molecular Weight284.23 g/mol
Exact Mass284.07
IUPAC Name1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1OCCC(F)(F)F
InChIInChI=1S/C14H11F3O3/c15-14(16,17)7-8-20-12-10-4-2-1-3-9(10)5-6-11(12)13(18)19/h1-6H,7-8H2,(H,18,19)
InChIKeyGDPAOPDOHSUVJV-UHFFFAOYSA-N
XLogP3.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutoxy)naphthalene-2-carboxylic acid
CID 63464162
1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702048
1-(2-methylsulfonylethoxy)naphthalene-2-carboxylic acid
CID 60693277
1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid
CID 61379131
1-pent-3-ynoxynaphthalene-2-carboxylic acid
CID 113455142
1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid
CID 68977043
3,5-dichloro-2-(3,3,3-trifluoropropoxy)benzoic acid
CID 64552928
4-(3,3,3-trifluoropropoxy)cinnoline-3-carboxylic acid
CID 82955204
3-bromo-2-(4,4,4-trifluorobutoxy)benzoic acid
CID 113326440
2-fluoro-4-(3,3,3-trifluoropropoxy)benzoic acid
CID 69019004
1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 45419231
1-pyridin-2-yloxynaphthalene-2-carboxylic acid
CID 61396185

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid (CID 62034235) is 1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid is O=C(O)c1ccc2ccccc2c1OCCC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid?
The InChIKey is GDPAOPDOHSUVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O3/c15-14(16,17)7-8-20-12-10-4-2-1-3-9(10)5-6-11(12)13(18)19/h1-6H,7-8H2,(H,18,19).
What are the key properties of 1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid?
1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 62034235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).