1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate

C14H11F3O2 — CID 118258856

IUPAC1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C14H11F3O2/c1-9(14(15,16)17)19-13(18)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3
InChIKeySWFOUSKFTFQDLH-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.95
Rot. Bonds2

About 1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate

1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate (PubChem CID 118258856) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate
PubChem CID118258856
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C14H11F3O2/c1-9(14(15,16)17)19-13(18)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3
InChIKeySWFOUSKFTFQDLH-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1,1,1-trifluoropropan-2-yl] 4-[4-[(2S)-1,1,1-trifluoropropan-2-yl]oxycarbonylphenyl]benzoate
CID 170081064
[(2S,3S)-3-(anthracene-2-carbonyloxy)butan-2-yl] anthracene-2-carboxylate
CID 102128962
1-phenylethyl naphthalene-2-carboxylate
CID 13356574
ethane;methyl naphthalene-2-carboxylate
CID 143895262
2-methylbutyl naphthalene-2-carboxylate
CID 21339899
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698131
[1-oxo-1-(propylamino)propan-2-yl] naphthalene-2-carboxylate
CID 18090823
1,1,1-trifluoropropan-2-yl 4-dibenzothiophen-5-ium-5-ylbenzoate
CID 171721859
[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] naphthalene-2-carboxylate
CID 9416628
[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 26202065
naphthalene-2-carboxylic acid
CID 175967775
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate?
The IUPAC name of 1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate (CID 118258856) is 1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate.
What is the SMILES notation for 1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate?
The canonical SMILES for 1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate is CC(OC(=O)c1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate?
The InChIKey is SWFOUSKFTFQDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c1-9(14(15,16)17)19-13(18)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3.
What are the key properties of 1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate?
1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate has a molecular weight of 268.23 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-yl naphthalene-2-carboxylate is sourced from PubChem (CID 118258856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).