4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine

C10H14F2N2 — CID 143596357

IUPAC4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine
SMILESC=NC(C)NC1C=CC(C(F)F)=CC1
InChIInChI=1S/C10H14F2N2/c1-7(13-2)14-9-5-3-8(4-6-9)10(11)12/h3-5,7,9-10,14H,2,6H2,1H3
InChIKeyAXCNUFVAECTODU-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.14
Rot. Bonds4

About 4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine

4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine (PubChem CID 143596357) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine
PubChem CID143596357
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine
SMILESC=NC(C)NC1C=CC(C(F)F)=CC1
InChIInChI=1S/C10H14F2N2/c1-7(13-2)14-9-5-3-8(4-6-9)10(11)12/h3-5,7,9-10,14H,2,6H2,1H3
InChIKeyAXCNUFVAECTODU-UHFFFAOYSA-N
XLogP2.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine
CID 89473310
(Z,3E)-3-[(3,3-difluoropyrrolidin-1-yl)-(methylideneamino)methylidene]hex-4-en-2-amine
CID 172247983
(1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine
CID 142990915
(5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine
CID 143596338
N-(1,1-difluoroethyl)-4-methylcyclohexa-2,4-dien-1-amine
CID 145502974
4-methyl-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 162545334
N-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 162605607
N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine
CID 142302141
(2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine
CID 143721734
N'-(3-methylcyclohexa-2,4-dien-1-yl)methanediamine
CID 144519533

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine (CID 143596357) is 4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine is C=NC(C)NC1C=CC(C(F)F)=CC1.
What is the InChIKey of 4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is AXCNUFVAECTODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-7(13-2)14-9-5-3-8(4-6-9)10(11)12/h3-5,7,9-10,14H,2,6H2,1H3.
What are the key properties of 4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine?
4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 200.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 143596357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).