N,1,1,1,3,3,3-heptafluoropropan-2-imine

C3F7N — CID 12705728

IUPACN,1,1,1,3,3,3-heptafluoropropan-2-imine
SMILESFN=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F7N/c4-2(5,6)1(11-10)3(7,8)9
InChIKeyKVXCEYRTLSUTAT-UHFFFAOYSA-N
MW183.03 g/mol
LogP2.44
Rot. Bonds

About N,1,1,1,3,3,3-heptafluoropropan-2-imine

N,1,1,1,3,3,3-heptafluoropropan-2-imine (PubChem CID 12705728) has the molecular formula C3F7N and a molecular weight of 183.03 g/mol. Its IUPAC name is N,1,1,1,3,3,3-heptafluoropropan-2-imine.

Molecular Properties

Compound NameN,1,1,1,3,3,3-heptafluoropropan-2-imine
PubChem CID12705728
Molecular FormulaC3F7N
Molecular Weight183.03 g/mol
Exact Mass182.99
IUPAC NameN,1,1,1,3,3,3-heptafluoropropan-2-imine
SMILESFN=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F7N/c4-2(5,6)1(11-10)3(7,8)9
InChIKeyKVXCEYRTLSUTAT-UHFFFAOYSA-N
XLogP2.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.03
LogP ≤ 52.44
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-heptafluoropropan-2-imine?
The IUPAC name of N,1,1,1,3,3,3-heptafluoropropan-2-imine (CID 12705728) is N,1,1,1,3,3,3-heptafluoropropan-2-imine.
What is the SMILES notation for N,1,1,1,3,3,3-heptafluoropropan-2-imine?
The canonical SMILES for N,1,1,1,3,3,3-heptafluoropropan-2-imine is FN=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,1,1,1,3,3,3-heptafluoropropan-2-imine?
The InChIKey is KVXCEYRTLSUTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F7N/c4-2(5,6)1(11-10)3(7,8)9.
What are the key properties of N,1,1,1,3,3,3-heptafluoropropan-2-imine?
N,1,1,1,3,3,3-heptafluoropropan-2-imine has a molecular weight of 183.03 g/mol, XLogP of 2.44, 0 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-heptafluoropropan-2-imine is sourced from PubChem (CID 12705728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).