4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine

C10H13F5N2 — CID 163572135

IUPAC4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine
SMILESC=C(C)/C(C=C(N)C(F)(F)F)=N\CC(C)(F)F
InChIInChI=1S/C10H13F5N2/c1-6(2)7(17-5-9(3,11)12)4-8(16)10(13,14)15/h4H,1,5,16H2,2-3H3/b8-4?,17-7-
InChIKeyGKICPUSYQCHKJK-HXRBSPJMSA-N
MW256.22 g/mol
LogP3.06
Rot. Bonds4

About 4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine

4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine (PubChem CID 163572135) has the molecular formula C10H13F5N2 and a molecular weight of 256.22 g/mol. Its IUPAC name is 4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine
PubChem CID163572135
Molecular FormulaC10H13F5N2
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine
SMILESC=C(C)/C(C=C(N)C(F)(F)F)=N\CC(C)(F)F
InChIInChI=1S/C10H13F5N2/c1-6(2)7(17-5-9(3,11)12)4-8(16)10(13,14)15/h4H,1,5,16H2,2-3H3/b8-4?,17-7-
InChIKeyGKICPUSYQCHKJK-HXRBSPJMSA-N
XLogP3.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine?
The IUPAC name of 4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine (CID 163572135) is 4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine.
What is the SMILES notation for 4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine?
The canonical SMILES for 4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine is C=C(C)/C(C=C(N)C(F)(F)F)=N\CC(C)(F)F.
What is the InChIKey of 4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine?
The InChIKey is GKICPUSYQCHKJK-HXRBSPJMSA-N. The full InChI is InChI=1S/C10H13F5N2/c1-6(2)7(17-5-9(3,11)12)4-8(16)10(13,14)15/h4H,1,5,16H2,2-3H3/b8-4?,17-7-.
What are the key properties of 4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine?
4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine has a molecular weight of 256.22 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropylimino)-1,1,1-trifluoro-5-methylhexa-2,5-dien-2-amine is sourced from PubChem (CID 163572135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).