7,7,7-trifluoroheptan-2-imine

C7H12F3N — CID 149392595

IUPAC7,7,7-trifluoroheptan-2-imine
SMILES[H]/N=C(\C)CCCCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-6(11)4-2-3-5-7(8,9)10/h11H,2-5H2,1H3/b11-6+
InChIKeyYNVFBEUUTQTXGZ-IZZDOVSWSA-N
MW167.17 g/mol
LogP3.15
Rot. Bonds4

About 7,7,7-trifluoroheptan-2-imine

7,7,7-trifluoroheptan-2-imine (PubChem CID 149392595) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 7,7,7-trifluoroheptan-2-imine.

Molecular Properties

Compound Name7,7,7-trifluoroheptan-2-imine
PubChem CID149392595
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name7,7,7-trifluoroheptan-2-imine
SMILES[H]/N=C(\C)CCCCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-6(11)4-2-3-5-7(8,9)10/h11H,2-5H2,1H3/b11-6+
InChIKeyYNVFBEUUTQTXGZ-IZZDOVSWSA-N
XLogP3.15
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoroheptan-2-imine?
The IUPAC name of 7,7,7-trifluoroheptan-2-imine (CID 149392595) is 7,7,7-trifluoroheptan-2-imine.
What is the SMILES notation for 7,7,7-trifluoroheptan-2-imine?
The canonical SMILES for 7,7,7-trifluoroheptan-2-imine is [H]/N=C(\C)CCCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoroheptan-2-imine?
The InChIKey is YNVFBEUUTQTXGZ-IZZDOVSWSA-N. The full InChI is InChI=1S/C7H12F3N/c1-6(11)4-2-3-5-7(8,9)10/h11H,2-5H2,1H3/b11-6+.
What are the key properties of 7,7,7-trifluoroheptan-2-imine?
7,7,7-trifluoroheptan-2-imine has a molecular weight of 167.17 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoroheptan-2-imine is sourced from PubChem (CID 149392595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).