N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine

C7H10F3N — CID 123861286

IUPACN-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine
SMILESCC=C(N=C(C)C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-4-6(7(8,9)10)11-5(2)3/h4H,1-3H3
InChIKeyDLFIXVUMSSBCKO-UHFFFAOYSA-N
MW165.16 g/mol
LogP2.93
Rot. Bonds1

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

N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine (PubChem CID 123861286) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine.

Molecular Properties

Compound NameN-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine
PubChem CID123861286
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC NameN-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine
SMILESCC=C(N=C(C)C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-4-6(7(8,9)10)11-5(2)3/h4H,1-3H3
InChIKeyDLFIXVUMSSBCKO-UHFFFAOYSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.93
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]ethanimine
CID 117817156
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]propan-2-imine
CID 118183261
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine
CID 123141114
N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine
CID 123183807
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
CID 123935366
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-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine
CID 153337806
N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropenta-3,4-dien-2-imine
CID 167222148
3-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]butan-2-imine
CID 169645993

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine?
The IUPAC name of N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine (CID 123861286) is N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine.
What is the SMILES notation for N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine?
The canonical SMILES for N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine is CC=C(N=C(C)C)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine?
The InChIKey is DLFIXVUMSSBCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c1-4-6(7(8,9)10)11-5(2)3/h4H,1-3H3.
What are the key properties of N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine?
N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine has a molecular weight of 165.16 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine is sourced from PubChem (CID 123861286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).