N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide

C14H7F6NO — CID 15711006

IUPACN-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide
SMILESO=C(N=C(C(F)(F)F)C(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H7F6NO/c15-13(16,17)12(14(18,19)20)21-11(22)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyDZVOZNAAINSTNM-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.55
Rot. Bonds1

About N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide

N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide (PubChem CID 15711006) has the molecular formula C14H7F6NO and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide
PubChem CID15711006
Molecular FormulaC14H7F6NO
Molecular Weight319.20 g/mol
Exact Mass319.04
IUPAC NameN-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide
SMILESO=C(N=C(C(F)(F)F)C(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H7F6NO/c15-13(16,17)12(14(18,19)20)21-11(22)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyDZVOZNAAINSTNM-UHFFFAOYSA-N
XLogP4.55
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide (CID 15711006) is N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide is O=C(N=C(C(F)(F)F)C(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide?
The InChIKey is DZVOZNAAINSTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6NO/c15-13(16,17)12(14(18,19)20)21-11(22)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide?
N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)naphthalene-2-carboxamide is sourced from PubChem (CID 15711006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).