3,3,3-trifluoropropyl naphthalene-2-carboxylate

C14H11F3O2 — CID 134968799

IUPAC3,3,3-trifluoropropyl naphthalene-2-carboxylate
SMILESO=C(OCCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)7-8-19-13(18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyCYWWAUUAVMDSKH-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.95
Rot. Bonds3

About 3,3,3-trifluoropropyl naphthalene-2-carboxylate

3,3,3-trifluoropropyl naphthalene-2-carboxylate (PubChem CID 134968799) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3,3,3-trifluoropropyl naphthalene-2-carboxylate.

Molecular Properties

Compound Name3,3,3-trifluoropropyl naphthalene-2-carboxylate
PubChem CID134968799
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name3,3,3-trifluoropropyl naphthalene-2-carboxylate
SMILESO=C(OCCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)7-8-19-13(18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyCYWWAUUAVMDSKH-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropyl naphthalene-2-carboxylate?
The IUPAC name of 3,3,3-trifluoropropyl naphthalene-2-carboxylate (CID 134968799) is 3,3,3-trifluoropropyl naphthalene-2-carboxylate.
What is the SMILES notation for 3,3,3-trifluoropropyl naphthalene-2-carboxylate?
The canonical SMILES for 3,3,3-trifluoropropyl naphthalene-2-carboxylate is O=C(OCCC(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 3,3,3-trifluoropropyl naphthalene-2-carboxylate?
The InChIKey is CYWWAUUAVMDSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c15-14(16,17)7-8-19-13(18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2.
What are the key properties of 3,3,3-trifluoropropyl naphthalene-2-carboxylate?
3,3,3-trifluoropropyl naphthalene-2-carboxylate has a molecular weight of 268.23 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropyl naphthalene-2-carboxylate is sourced from PubChem (CID 134968799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).