1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine

C7H8F7N — CID 175461087

IUPAC1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine
SMILESC=CCNC(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C7H8F7N/c1-2-3-15-7(13,14)5(8,9)4-6(10,11)12/h2,15H,1,3-4H2
InChIKeyOAOAEZZUTYANEV-UHFFFAOYSA-N
MW239.13 g/mol
LogP2.94
Rot. Bonds5

About 1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine

1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine (PubChem CID 175461087) has the molecular formula C7H8F7N and a molecular weight of 239.13 g/mol. Its IUPAC name is 1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine.

Molecular Properties

Compound Name1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine
PubChem CID175461087
Molecular FormulaC7H8F7N
Molecular Weight239.13 g/mol
Exact Mass239.05
IUPAC Name1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine
SMILESC=CCNC(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C7H8F7N/c1-2-3-15-7(13,14)5(8,9)4-6(10,11)12/h2,15H,1,3-4H2
InChIKeyOAOAEZZUTYANEV-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.13
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1-N,1-N'-bis(prop-2-enyl)-1-silylpropane-1,1-diamine
CID 173002811
azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride
CID 175381941
1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea
CID 115575971
1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane
CID 59211713
N-fluoroprop-2-en-1-amine;hydroiodide
CID 173029959
azane;4,4,4-trifluorobut-1-ene
CID 166791740
N-prop-2-enylhydroxylamine;hydrate
CID 173055199
methane;4,4,4-trifluorobut-1-ene
CID 157244358
2-methyl-N-prop-2-enylpentan-2-amine
CID 115600901
1-ethenoxy-1,1,3,3,3-pentafluoropropane
CID 87600810
2-ethyl-2-(prop-2-enylamino)butan-1-ol
CID 62517970
2-ethyl-2-(prop-2-enylamino)propane-1,3-diol
CID 20751100

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine?
The IUPAC name of 1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine (CID 175461087) is 1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine.
What is the SMILES notation for 1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine?
The canonical SMILES for 1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine is C=CCNC(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine?
The InChIKey is OAOAEZZUTYANEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7N/c1-2-3-15-7(13,14)5(8,9)4-6(10,11)12/h2,15H,1,3-4H2.
What are the key properties of 1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine?
1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine has a molecular weight of 239.13 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,4,4,4-heptafluoro-N-prop-2-enylbutan-1-amine is sourced from PubChem (CID 175461087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).