(3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine

C7H11F2N — CID 118911865

IUPAC(3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine
SMILESC=C(F)/C(C)=C(/F)C(C)N
InChIInChI=1S/C7H11F2N/c1-4(5(2)8)7(9)6(3)10/h6H,2,10H2,1,3H3/b7-4+
InChIKeyREVXKGXBRZFZAL-QPJJXVBHSA-N
MW147.17 g/mol
LogP2.06
Rot. Bonds2

About (3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine

(3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine (PubChem CID 118911865) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is (3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine
PubChem CID118911865
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine
SMILESC=C(F)/C(C)=C(/F)C(C)N
InChIInChI=1S/C7H11F2N/c1-4(5(2)8)7(9)6(3)10/h6H,2,10H2,1,3H3/b7-4+
InChIKeyREVXKGXBRZFZAL-QPJJXVBHSA-N
XLogP2.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.06
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 (3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine?
The IUPAC name of (3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine (CID 118911865) is (3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine.
What is the SMILES notation for (3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine?
The canonical SMILES for (3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine is C=C(F)/C(C)=C(/F)C(C)N.
What is the InChIKey of (3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine?
The InChIKey is REVXKGXBRZFZAL-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H11F2N/c1-4(5(2)8)7(9)6(3)10/h6H,2,10H2,1,3H3/b7-4+.
What are the key properties of (3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine?
(3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine has a molecular weight of 147.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3,5-difluoro-4-methylhexa-3,5-dien-2-amine is sourced from PubChem (CID 118911865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).