1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine

C3HCl2F4N — CID 23233318

IUPAC1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine
SMILES[H]N=C(C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C3HCl2F4N/c4-2(6,7)1(10)3(5,8)9/h10H
InChIKeyGLRBCSDWYJVMQR-UHFFFAOYSA-N
MW197.95 g/mol
LogP2.67
Rot. Bonds2

About 1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine

1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine (PubChem CID 23233318) has the molecular formula C3HCl2F4N and a molecular weight of 197.95 g/mol. Its IUPAC name is 1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine.

Molecular Properties

Compound Name1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine
PubChem CID23233318
Molecular FormulaC3HCl2F4N
Molecular Weight197.95 g/mol
Exact Mass196.94
IUPAC Name1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine
SMILES[H]N=C(C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C3HCl2F4N/c4-2(6,7)1(10)3(5,8)9/h10H
InChIKeyGLRBCSDWYJVMQR-UHFFFAOYSA-N
XLogP2.67
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.95
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine?
The IUPAC name of 1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine (CID 23233318) is 1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine.
What is the SMILES notation for 1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine?
The canonical SMILES for 1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine is [H]N=C(C(F)(F)Cl)C(F)(F)Cl.
What is the InChIKey of 1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine?
The InChIKey is GLRBCSDWYJVMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl2F4N/c4-2(6,7)1(10)3(5,8)9/h10H.
What are the key properties of 1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine?
1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine has a molecular weight of 197.95 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-1,1,3,3-tetrafluoropropan-2-imine is sourced from PubChem (CID 23233318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).