4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid

C15H12F3NO2 — CID 106216793

IUPAC4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid
SMILESO=C(O)c1ccc(NC2(C(F)(F)F)CC2)c2ccccc12
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)14(7-8-14)19-12-6-5-11(13(20)21)9-3-1-2-4-10(9)12/h1-6,19H,7-8H2,(H,20,21)
InChIKeyBGZVWYWBCDLIFB-UHFFFAOYSA-N
MW295.26 g/mol
LogP4.04
Rot. Bonds3

About 4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid

4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid (PubChem CID 106216793) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid
PubChem CID106216793
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid
SMILESO=C(O)c1ccc(NC2(C(F)(F)F)CC2)c2ccccc12
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)14(7-8-14)19-12-6-5-11(13(20)21)9-3-1-2-4-10(9)12/h1-6,19H,7-8H2,(H,20,21)
InChIKeyBGZVWYWBCDLIFB-UHFFFAOYSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid?
The IUPAC name of 4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid (CID 106216793) is 4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid?
The canonical SMILES for 4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid is O=C(O)c1ccc(NC2(C(F)(F)F)CC2)c2ccccc12.
What is the InChIKey of 4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid?
The InChIKey is BGZVWYWBCDLIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-15(17,18)14(7-8-14)19-12-6-5-11(13(20)21)9-3-1-2-4-10(9)12/h1-6,19H,7-8H2,(H,20,21).
What are the key properties of 4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid?
4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid has a molecular weight of 295.26 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(trifluoromethyl)cyclopropyl]amino]naphthalene-1-carboxylic acid is sourced from PubChem (CID 106216793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).