N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)benzamide

C10H5F6NO — CID 11043788

IUPACN-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)benzamide
SMILESO=C(N=C(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H5F6NO/c11-9(12,13)8(10(14,15)16)17-7(18)6-4-2-1-3-5-6/h1-5H
InChIKeyAMQLAPGCCRQSTO-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.39
Rot. Bonds1

About N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)benzamide

N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)benzamide (PubChem CID 11043788) has the molecular formula C10H5F6NO and a molecular weight of 269.14 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)benzamide
PubChem CID11043788
Molecular FormulaC10H5F6NO
Molecular Weight269.14 g/mol
Exact Mass269.03
IUPAC NameN-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)benzamide
SMILESO=C(N=C(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H5F6NO/c11-9(12,13)8(10(14,15)16)17-7(18)6-4-2-1-3-5-6/h1-5H
InChIKeyAMQLAPGCCRQSTO-UHFFFAOYSA-N
XLogP3.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.39
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)benzamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)benzamide (CID 11043788) is N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)benzamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)benzamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)benzamide is O=C(N=C(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)benzamide?
The InChIKey is AMQLAPGCCRQSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6NO/c11-9(12,13)8(10(14,15)16)17-7(18)6-4-2-1-3-5-6/h1-5H.
What are the key properties of N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)benzamide?
N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)benzamide has a molecular weight of 269.14 g/mol, XLogP of 3.39, 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)benzamide is sourced from PubChem (CID 11043788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).