(E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide

C9H16F2N2 — CID 169247325

IUPAC(E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide
SMILESCCC/C(C)=C/C(N)=N/CC(F)F
InChIInChI=1S/C9H16F2N2/c1-3-4-7(2)5-9(12)13-6-8(10)11/h5,8H,3-4,6H2,1-2H3,(H2,12,13)/b7-5+
InChIKeyHNBMEBNLFZPHQW-FNORWQNLSA-N
MW190.24 g/mol
LogP2.36
Rot. Bonds5

About (E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide

(E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide (PubChem CID 169247325) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide
PubChem CID169247325
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide
SMILESCCC/C(C)=C/C(N)=N/CC(F)F
InChIInChI=1S/C9H16F2N2/c1-3-4-7(2)5-9(12)13-6-8(10)11/h5,8H,3-4,6H2,1-2H3,(H2,12,13)/b7-5+
InChIKeyHNBMEBNLFZPHQW-FNORWQNLSA-N
XLogP2.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N'-[(E)-6,6,6-trifluoro-5-imino-2-methylhex-2-enyl]pent-2-enimidamide
CID 123617855
4-(1,2-difluoroethyl)-5-fluoro-2H-azepin-7-amine
CID 137532729
N'-[(Z)-2-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]but-2-enyl]ethanimidamide
CID 155728806
N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide
CID 155728926
(Z)-N'-[2-[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethyl]but-2-enimidamide
CID 156423242
(E)-3-(3,3-difluorocyclobutyl)-N'-methylbut-2-enimidamide
CID 166867023
2,4-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridin-6-amine
CID 176690486
4-(Difluoromethyl)-2,3-dihydropyridin-6-amine
CID 162594238
(Z)-N'-(2,2-difluoroethyl)-3-propan-2-ylhex-2-enimidamide
CID 169247287
(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide
CID 169247484
3-ethyl-N'-propan-2-ylpent-2-enimidamide
CID 157702646
3-ethyl-N'-methylpent-2-enimidamide
CID 166555726

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide?
The IUPAC name of (E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide (CID 169247325) is (E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide.
What is the SMILES notation for (E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide?
The canonical SMILES for (E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide is CCC/C(C)=C/C(N)=N/CC(F)F.
What is the InChIKey of (E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide?
The InChIKey is HNBMEBNLFZPHQW-FNORWQNLSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-3-4-7(2)5-9(12)13-6-8(10)11/h5,8H,3-4,6H2,1-2H3,(H2,12,13)/b7-5+.
What are the key properties of (E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide?
(E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide has a molecular weight of 190.24 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(2,2-difluoroethyl)-3-methylhex-2-enimidamide is sourced from PubChem (CID 169247325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).