N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine

C6H8F3N — CID 123141114

IUPACN-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine
SMILESC=C(N=C(C)C)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-4(2)10-5(3)6(7,8)9/h3H2,1-2H3
InChIKeyOOJAYHYOXASKNZ-UHFFFAOYSA-N
MW151.13 g/mol
LogP2.54
Rot. Bonds1

About N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine

N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine (PubChem CID 123141114) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine.

Molecular Properties

Compound NameN-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine
PubChem CID123141114
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC NameN-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine
SMILESC=C(N=C(C)C)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-4(2)10-5(3)6(7,8)9/h3H2,1-2H3
InChIKeyOOJAYHYOXASKNZ-UHFFFAOYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]propan-2-imine
CID 118183261
N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine
CID 123183807
N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine
CID 123679935
N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine
CID 123861286
N-[(E)-1-fluoroprop-1-enyl]propan-2-imine
CID 130215387
1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]propan-2-imine
CID 132002881
N-(3,3,3-trifluoroprop-1-en-2-yl)but-3-en-2-imine
CID 144251803
1,1,1-trifluoro-N-prop-1-en-2-ylpropan-2-imine
CID 145380727
N-(4,4,4-trifluorobut-1-en-2-yl)butan-2-imine
CID 146618655
N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine
CID 153337806
N-(3,3-difluorobut-1-en-2-yl)butan-2-imine
CID 169127834
N-(1-fluoroethenyl)propan-2-imine
CID 143179350

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine?
The IUPAC name of N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine (CID 123141114) is N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine.
What is the SMILES notation for N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine?
The canonical SMILES for N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine is C=C(N=C(C)C)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine?
The InChIKey is OOJAYHYOXASKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N/c1-4(2)10-5(3)6(7,8)9/h3H2,1-2H3.
What are the key properties of N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine?
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine has a molecular weight of 151.13 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine is sourced from PubChem (CID 123141114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).