N-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine

C7H12F2N2 — CID 154967768

IUPACN-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine
SMILESCN/N=C(C)/C(F)=C\C(C)F
InChIInChI=1S/C7H12F2N2/c1-5(8)4-7(9)6(2)11-10-3/h4-5,10H,1-3H3/b7-4+,11-6+
InChIKeyISLNUJZAQGGWEV-UTJSZMBVSA-N
MW162.18 g/mol
LogP1.79
Rot. Bonds3

About N-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine

N-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine (PubChem CID 154967768) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is N-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine
PubChem CID154967768
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC NameN-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine
SMILESCN/N=C(C)/C(F)=C\C(C)F
InChIInChI=1S/C7H12F2N2/c1-5(8)4-7(9)6(2)11-10-3/h4-5,10H,1-3H3/b7-4+,11-6+
InChIKeyISLNUJZAQGGWEV-UTJSZMBVSA-N
XLogP1.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine
CID 143966920
N-[(E)-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]amino]methanamine
CID 154967746
N-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine
CID 154967870
N-[(E)-[(E)-3-fluoropent-3-en-2-ylidene]amino]methanamine
CID 166922679
N-[(2,4,6-trifluoro-4-methylcyclohexa-2,5-dien-1-ylidene)amino]methanamine
CID 174648162
N-[(E)-[(Z)-1,1-difluoropent-3-en-2-ylidene]amino]-1-iodomethanamine
CID 172959955
N-[(Z)-4-methylpent-3-en-2-ylideneamino]methanamine
CID 117825193
N-[(E)-[(Z)-pent-3-en-2-ylidene]amino]methanamine
CID 134467191
N-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]methanamine
CID 137472060
N-[(Z)-[(E)-pent-3-en-2-ylidene]amino]methanamine
CID 143254073
N-[(Z)-[(Z)-hex-3-en-2-ylidene]amino]methanamine
CID 144677034
N-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine
CID 166737249

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine?
The IUPAC name of N-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine (CID 154967768) is N-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine.
What is the SMILES notation for N-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine?
The canonical SMILES for N-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine is CN/N=C(C)/C(F)=C\C(C)F.
What is the InChIKey of N-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine?
The InChIKey is ISLNUJZAQGGWEV-UTJSZMBVSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-5(8)4-7(9)6(2)11-10-3/h4-5,10H,1-3H3/b7-4+,11-6+.
What are the key properties of N-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine?
N-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine has a molecular weight of 162.18 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3,5-difluorohex-3-en-2-ylidene]amino]methanamine is sourced from PubChem (CID 154967768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).