1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine

C4H2F7N — CID 162536579

IUPAC1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine
SMILESNC(=C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F7N/c5-1(3(6,7)8)2(12)4(9,10)11/h12H2
InChIKeyJJKDWXRIMMMPGK-UHFFFAOYSA-N
MW197.05 g/mol
LogP2.25
Rot. Bonds

About 1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine

1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine (PubChem CID 162536579) has the molecular formula C4H2F7N and a molecular weight of 197.05 g/mol. Its IUPAC name is 1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine.

Molecular Properties

Compound Name1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine
PubChem CID162536579
Molecular FormulaC4H2F7N
Molecular Weight197.05 g/mol
Exact Mass197.01
IUPAC Name1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine
SMILESNC(=C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F7N/c5-1(3(6,7)8)2(12)4(9,10)11/h12H2
InChIKeyJJKDWXRIMMMPGK-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.05
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z,4E)-1,1,1,6,6,6-hexafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene-2,5-diamine
CID 177383651
1,1,2,3,3,3-hexafluoroprop-1-ene hexafluoride
CID 158507294
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
CID 88822630
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrofluoride
CID 162622378
1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene
CID 173395165
(E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol
CID 139594305
zinc;1,1,2,3,3,3-hexafluoroprop-1-ene;oxygen(2-)
CID 158339432
ethene;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 87565664
(E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene
CID 23234723
(3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene
CID 5462741
1,2,3,3,3-pentafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enoxy)prop-1-ene
CID 57349567
(E)-1,1,1,2,3,4-hexafluoro-4-methylpent-2-ene
CID 163535527

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine?
The IUPAC name of 1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine (CID 162536579) is 1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine.
What is the SMILES notation for 1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine?
The canonical SMILES for 1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine is NC(=C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine?
The InChIKey is JJKDWXRIMMMPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F7N/c5-1(3(6,7)8)2(12)4(9,10)11/h12H2.
What are the key properties of 1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine?
1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine has a molecular weight of 197.05 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine is sourced from PubChem (CID 162536579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).