(2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine

C10H10F7N — CID 137495045

IUPAC(2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(/C)N)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F7N/c1-3-7(5-4-6(2)18)8(11,9(12,13)14)10(15,16)17/h3-5H,1,18H2,2H3/b6-4+,7-5+
InChIKeyHLIJFHBVPBNQSF-YDFGWWAZSA-N
MW277.18 g/mol
LogP3.79
Rot. Bonds3

About (2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine

(2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine (PubChem CID 137495045) has the molecular formula C10H10F7N and a molecular weight of 277.18 g/mol. Its IUPAC name is (2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine
PubChem CID137495045
Molecular FormulaC10H10F7N
Molecular Weight277.18 g/mol
Exact Mass277.07
IUPAC Name(2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(/C)N)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F7N/c1-3-7(5-4-6(2)18)8(11,9(12,13)14)10(15,16)17/h3-5H,1,18H2,2H3/b6-4+,7-5+
InChIKeyHLIJFHBVPBNQSF-YDFGWWAZSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine (CID 137495045) is (2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine is C=C/C(=C\C=C(/C)N)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine?
The InChIKey is HLIJFHBVPBNQSF-YDFGWWAZSA-N. The full InChI is InChI=1S/C10H10F7N/c1-3-7(5-4-6(2)18)8(11,9(12,13)14)10(15,16)17/h3-5H,1,18H2,2H3/b6-4+,7-5+.
What are the key properties of (2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine?
(2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine has a molecular weight of 277.18 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)hepta-2,4,6-trien-2-amine is sourced from PubChem (CID 137495045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).