1,1,1,3,3-pentafluoropropan-2-imine

C3H2F5N — CID 91399528

IUPAC1,1,1,3,3-pentafluoropropan-2-imine
SMILES[H]/N=C(\C(F)F)C(F)(F)F
InChIInChI=1S/C3H2F5N/c4-2(5)1(9)3(6,7)8/h2,9H/b9-1+
InChIKeyJJWRMELTNHXDKI-XLUWADSXSA-N
MW147.05 g/mol
LogP1.83
Rot. Bonds1

About 1,1,1,3,3-pentafluoropropan-2-imine

1,1,1,3,3-pentafluoropropan-2-imine (PubChem CID 91399528) has the molecular formula C3H2F5N and a molecular weight of 147.05 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoropropan-2-imine.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoropropan-2-imine
PubChem CID91399528
Molecular FormulaC3H2F5N
Molecular Weight147.05 g/mol
Exact Mass147.01
IUPAC Name1,1,1,3,3-pentafluoropropan-2-imine
SMILES[H]/N=C(\C(F)F)C(F)(F)F
InChIInChI=1S/C3H2F5N/c4-2(5)1(9)3(6,7)8/h2,9H/b9-1+
InChIKeyJJWRMELTNHXDKI-XLUWADSXSA-N
XLogP1.83
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.05
LogP ≤ 51.83
H-Bond Donors ≤ 51
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 1,1,1,3,3-pentafluoropropan-2-imine?
The IUPAC name of 1,1,1,3,3-pentafluoropropan-2-imine (CID 91399528) is 1,1,1,3,3-pentafluoropropan-2-imine.
What is the SMILES notation for 1,1,1,3,3-pentafluoropropan-2-imine?
The canonical SMILES for 1,1,1,3,3-pentafluoropropan-2-imine is [H]/N=C(\C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoropropan-2-imine?
The InChIKey is JJWRMELTNHXDKI-XLUWADSXSA-N. The full InChI is InChI=1S/C3H2F5N/c4-2(5)1(9)3(6,7)8/h2,9H/b9-1+.
What are the key properties of 1,1,1,3,3-pentafluoropropan-2-imine?
1,1,1,3,3-pentafluoropropan-2-imine has a molecular weight of 147.05 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoropropan-2-imine is sourced from PubChem (CID 91399528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).