N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline

C9H6F6N2 — CID 12796053

IUPACN-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline
SMILESFC(F)(F)C(=NNc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H6F6N2/c10-8(11,12)7(9(13,14)15)17-16-6-4-2-1-3-5-6/h1-5,16H
InChIKeyGVVYCTDUTDPGGY-UHFFFAOYSA-N
MW256.15 g/mol
LogP3.58
Rot. Bonds2

About N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline

N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline (PubChem CID 12796053) has the molecular formula C9H6F6N2 and a molecular weight of 256.15 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline
PubChem CID12796053
Molecular FormulaC9H6F6N2
Molecular Weight256.15 g/mol
Exact Mass256.04
IUPAC NameN-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline
SMILESFC(F)(F)C(=NNc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H6F6N2/c10-8(11,12)7(9(13,14)15)17-16-6-4-2-1-3-5-6/h1-5,16H
InChIKeyGVVYCTDUTDPGGY-UHFFFAOYSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-ylideneamino)aniline?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline (CID 12796053) is N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline is FC(F)(F)C(=NNc1ccccc1)C(F)(F)F.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline?
The InChIKey is GVVYCTDUTDPGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N2/c10-8(11,12)7(9(13,14)15)17-16-6-4-2-1-3-5-6/h1-5,16H.
What are the key properties of N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline?
N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline has a molecular weight of 256.15 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)aniline is sourced from PubChem (CID 12796053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).