(5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine

C8H10F5N — CID 89073622

IUPAC(5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine
SMILESC=CC(N)C/C(F)=C(\CF)C(F)(F)F
InChIInChI=1S/C8H10F5N/c1-2-5(14)3-7(10)6(4-9)8(11,12)13/h2,5H,1,3-4,14H2/b7-6-
InChIKeyDZZJCXUBNPGICS-SREVYHEPSA-N
MW215.16 g/mol
LogP2.65
Rot. Bonds4

About (5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine

(5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine (PubChem CID 89073622) has the molecular formula C8H10F5N and a molecular weight of 215.16 g/mol. Its IUPAC name is (5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine.

Molecular Properties

Compound Name(5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine
PubChem CID89073622
Molecular FormulaC8H10F5N
Molecular Weight215.16 g/mol
Exact Mass215.07
IUPAC Name(5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine
SMILESC=CC(N)C/C(F)=C(\CF)C(F)(F)F
InChIInChI=1S/C8H10F5N/c1-2-5(14)3-7(10)6(4-9)8(11,12)13/h2,5H,1,3-4,14H2/b7-6-
InChIKeyDZZJCXUBNPGICS-SREVYHEPSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine?
The IUPAC name of (5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine (CID 89073622) is (5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine.
What is the SMILES notation for (5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine?
The canonical SMILES for (5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine is C=CC(N)C/C(F)=C(\CF)C(F)(F)F.
What is the InChIKey of (5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine?
The InChIKey is DZZJCXUBNPGICS-SREVYHEPSA-N. The full InChI is InChI=1S/C8H10F5N/c1-2-5(14)3-7(10)6(4-9)8(11,12)13/h2,5H,1,3-4,14H2/b7-6-.
What are the key properties of (5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine?
(5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine has a molecular weight of 215.16 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine is sourced from PubChem (CID 89073622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).