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

C6H9F2N — CID 162613420

IUPACN-(3,3-difluoroprop-1-en-2-yl)propan-1-imine
SMILESC=C(/N=C/CC)C(F)F
InChIInChI=1S/C6H9F2N/c1-3-4-9-5(2)6(7)8/h4,6H,2-3H2,1H3/b9-4+
InChIKeyYFFIOFWWUVUUNS-RUDMXATFSA-N
MW133.14 g/mol
LogP2.25
Rot. Bonds3

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

N-(3,3-difluoroprop-1-en-2-yl)propan-1-imine (PubChem CID 162613420) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is N-(3,3-difluoroprop-1-en-2-yl)propan-1-imine.

Molecular Properties

Compound NameN-(3,3-difluoroprop-1-en-2-yl)propan-1-imine
PubChem CID162613420
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC NameN-(3,3-difluoroprop-1-en-2-yl)propan-1-imine
SMILESC=C(/N=C/CC)C(F)F
InChIInChI=1S/C6H9F2N/c1-3-4-9-5(2)6(7)8/h4,6H,2-3H2,1H3/b9-4+
InChIKeyYFFIOFWWUVUUNS-RUDMXATFSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 52.25
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]pentan-1-imine
CID 123355000
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
CID 123498961
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
CID 123935366
1,5-dimethyl-2-(trifluoromethyl)-2H-pyrazine
CID 135268111
3,3-difluoro-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]hexan-1-imine
CID 137467696
N-(3,3-difluoroprop-1-en-2-yl)ethanimine
CID 139563797
ethane;2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine
CID 142067132
2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine
CID 142067133
N-prop-1-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 143383155
ethane;N-prop-1-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 143383181
2-fluoro-N-prop-1-en-2-ylprop-2-en-1-imine
CID 144380528

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoroprop-1-en-2-yl)propan-1-imine?
The IUPAC name of N-(3,3-difluoroprop-1-en-2-yl)propan-1-imine (CID 162613420) is N-(3,3-difluoroprop-1-en-2-yl)propan-1-imine.
What is the SMILES notation for N-(3,3-difluoroprop-1-en-2-yl)propan-1-imine?
The canonical SMILES for N-(3,3-difluoroprop-1-en-2-yl)propan-1-imine is C=C(/N=C/CC)C(F)F.
What is the InChIKey of N-(3,3-difluoroprop-1-en-2-yl)propan-1-imine?
The InChIKey is YFFIOFWWUVUUNS-RUDMXATFSA-N. The full InChI is InChI=1S/C6H9F2N/c1-3-4-9-5(2)6(7)8/h4,6H,2-3H2,1H3/b9-4+.
What are the key properties of N-(3,3-difluoroprop-1-en-2-yl)propan-1-imine?
N-(3,3-difluoroprop-1-en-2-yl)propan-1-imine has a molecular weight of 133.14 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoroprop-1-en-2-yl)propan-1-imine is sourced from PubChem (CID 162613420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).