2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide

C10H17F3N2 — CID 170150378

IUPAC2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide
SMILESCCC/C=C(\N=C(\N)C(C)C)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-4-5-6-8(10(11,12)13)15-9(14)7(2)3/h6-7H,4-5H2,1-3H3,(H2,14,15)/b8-6-
InChIKeyHIBJRTDYKCTBFT-VURMDHGXSA-N
MW222.25 g/mol
LogP3.25
Rot. Bonds4

About 2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide

2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide (PubChem CID 170150378) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide
PubChem CID170150378
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide
SMILESCCC/C=C(\N=C(\N)C(C)C)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-4-5-6-8(10(11,12)13)15-9(14)7(2)3/h6-7H,4-5H2,1-3H3,(H2,14,15)/b8-6-
InChIKeyHIBJRTDYKCTBFT-VURMDHGXSA-N
XLogP3.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.25
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

4,4-dimethyl-6-(trifluoromethyl)-3H-pyridin-2-amine
CID 123434804
2-methyl-N'-[3-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propanimidamide
CID 156149030
4-Methyl-6-(trifluoromethyl)-3,4-dihydropyridin-2-amine
CID 163667483
4-ethyl-2-propan-2-yl-6-(trifluoromethyl)-4H-azepin-7-amine
CID 148250050
(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide
CID 169247484
N'-(4-methylpent-2-en-2-yl)ethanimidamide
CID 123304139
N'-[(Z)-hex-2-en-3-yl]-2-methylbutanimidamide
CID 132186698

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide?
The IUPAC name of 2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide (CID 170150378) is 2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide is CCC/C=C(\N=C(\N)C(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide?
The InChIKey is HIBJRTDYKCTBFT-VURMDHGXSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-4-5-6-8(10(11,12)13)15-9(14)7(2)3/h6-7H,4-5H2,1-3H3,(H2,14,15)/b8-6-.
What are the key properties of 2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide?
2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide has a molecular weight of 222.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(Z)-1,1,1-trifluorohex-2-en-2-yl]propanimidamide is sourced from PubChem (CID 170150378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).