1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine

C11H9F7N2 — CID 126044220

IUPAC1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine
SMILESCc1ccccc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F7N2/c1-7-4-2-3-5-8(7)6-19-20-11(17,18)9(12,13)10(14,15)16/h2-6,20H,1H3/b19-6+
InChIKeyTZOTWDRDWAMWJH-KPSZGOFPSA-N
MW302.19 g/mol
LogP3.71
Rot. Bonds4

About 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine

1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine (PubChem CID 126044220) has the molecular formula C11H9F7N2 and a molecular weight of 302.19 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine
PubChem CID126044220
Molecular FormulaC11H9F7N2
Molecular Weight302.19 g/mol
Exact Mass302.07
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine
SMILESCc1ccccc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F7N2/c1-7-4-2-3-5-8(7)6-19-20-11(17,18)9(12,13)10(14,15)16/h2-6,20H,1H3/b19-6+
InChIKeyTZOTWDRDWAMWJH-KPSZGOFPSA-N
XLogP3.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126042047
N-[(E)-(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126037499
1,1,2,2,3,3,3-heptafluoro-N-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]propan-1-amine
CID 126049446
1,1,2,2,3,3,3-heptafluoro-N-[(E)-[4-(2,2,2-trifluoroethylsulfanyl)naphthalen-1-yl]methylideneamino]propan-1-amine
CID 126048643
1,1,2,2,3,3,3-heptafluoro-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]propan-1-amine
CID 126047088
N-[(E)-(4-benzylsulfanylnaphthalen-1-yl)methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126055356
1,1,2,2,3,3,3-heptafluoro-N-[(E)-(4-prop-2-enylsulfanylnaphthalen-1-yl)methylideneamino]propan-1-amine
CID 126047665
ethane;N-methyl-1-(2-methylphenyl)methanimine
CID 91511735
1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]propan-1-amine
CID 126046264
1,1,2,2,3,3,3-heptafluoro-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propan-1-amine
CID 126048176
1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine
CID 126045816
3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 78596974

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine (CID 126044220) is 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine is Cc1ccccc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine?
The InChIKey is TZOTWDRDWAMWJH-KPSZGOFPSA-N. The full InChI is InChI=1S/C11H9F7N2/c1-7-4-2-3-5-8(7)6-19-20-11(17,18)9(12,13)10(14,15)16/h2-6,20H,1H3/b19-6+.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine?
1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine has a molecular weight of 302.19 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine is sourced from PubChem (CID 126044220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).