N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide

C6H9F3N2 — CID 163657041

IUPACN'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide
SMILESCC/C=C(\N=C\N)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-2-3-5(11-4-10)6(7,8)9/h3-4H,2H2,1H3,(H2,10,11)/b5-3-
InChIKeyIRDNVFBYSOSPIX-HYXAFXHYSA-N
MW166.15 g/mol
LogP1.83
Rot. Bonds2

About N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide

N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide (PubChem CID 163657041) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide
PubChem CID163657041
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC NameN'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide
SMILESCC/C=C(\N=C\N)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-2-3-5(11-4-10)6(7,8)9/h3-4H,2H2,1H3,(H2,10,11)/b5-3-
InChIKeyIRDNVFBYSOSPIX-HYXAFXHYSA-N
XLogP1.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.83
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

N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide
CID 146203764
N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide
CID 154964899
N'-[(3Z,5Z)-8,8-difluoroocta-1,3,5-trien-3-yl]methanimidamide
CID 164558249
N'-[(E)-hex-3-en-3-yl]methanimidamide
CID 89423506
N'-[(Z)-hex-2-en-2-yl]methanimidamide
CID 118151912
N'-[(Z)-pent-2-en-3-yl]methanimidamide
CID 121462325
N'-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123377787
N'-pent-2-en-2-ylmethanimidamide
CID 123817871
N'-hex-3-en-3-ylmethanimidamide
CID 146200223

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide?
The IUPAC name of N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide (CID 163657041) is N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide is CC/C=C(\N=C\N)C(F)(F)F.
What is the InChIKey of N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide?
The InChIKey is IRDNVFBYSOSPIX-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-2-3-5(11-4-10)6(7,8)9/h3-4H,2H2,1H3,(H2,10,11)/b5-3-.
What are the key properties of N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide?
N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide has a molecular weight of 166.15 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide is sourced from PubChem (CID 163657041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).