(4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine

C8H10F5N — CID 89153998

IUPAC(4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine
SMILESC=C(F)/C(=C(/F)CC(C)N)C(F)(F)F
InChIInChI=1S/C8H10F5N/c1-4(14)3-6(10)7(5(2)9)8(11,12)13/h4H,2-3,14H2,1H3/b7-6-
InChIKeySHBMHMUTOBFZFR-SREVYHEPSA-N
MW215.16 g/mol
LogP2.99
Rot. Bonds3

About (4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine

(4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine (PubChem CID 89153998) has the molecular formula C8H10F5N and a molecular weight of 215.16 g/mol. Its IUPAC name is (4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine
PubChem CID89153998
Molecular FormulaC8H10F5N
Molecular Weight215.16 g/mol
Exact Mass215.07
IUPAC Name(4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine
SMILESC=C(F)/C(=C(/F)CC(C)N)C(F)(F)F
InChIInChI=1S/C8H10F5N/c1-4(14)3-6(10)7(5(2)9)8(11,12)13/h4H,2-3,14H2,1H3/b7-6-
InChIKeySHBMHMUTOBFZFR-SREVYHEPSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 52.99
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 (4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine?
The IUPAC name of (4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine (CID 89153998) is (4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine.
What is the SMILES notation for (4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine?
The canonical SMILES for (4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine is C=C(F)/C(=C(/F)CC(C)N)C(F)(F)F.
What is the InChIKey of (4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine?
The InChIKey is SHBMHMUTOBFZFR-SREVYHEPSA-N. The full InChI is InChI=1S/C8H10F5N/c1-4(14)3-6(10)7(5(2)9)8(11,12)13/h4H,2-3,14H2,1H3/b7-6-.
What are the key properties of (4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine?
(4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine has a molecular weight of 215.16 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4,6-difluoro-5-(trifluoromethyl)hepta-4,6-dien-2-amine is sourced from PubChem (CID 89153998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).