N'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide

C7H11FN2O — CID 143740875

IUPACN'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(CC)=C(/O)CF
InChIInChI=1S/C7H11FN2O/c1-3-6(7(11)4-8)10-5-9-2/h5,11H,2-4H2,1H3/b7-6+,10-5+
InChIKeyZIGRHQWVYOABOK-XYLIHAQWSA-N
MW158.18 g/mol
LogP1.86
Rot. Bonds4

About N'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide

N'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide (PubChem CID 143740875) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is N'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide
PubChem CID143740875
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC NameN'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(CC)=C(/O)CF
InChIInChI=1S/C7H11FN2O/c1-3-6(7(11)4-8)10-5-9-2/h5,11H,2-4H2,1H3/b7-6+,10-5+
InChIKeyZIGRHQWVYOABOK-XYLIHAQWSA-N
XLogP1.86
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(1-chloroethenyl)-N-methylidenemethanimidamide
CID 91023125
N'-[1-[ethyl(methyl)amino]ethenyl]-N-methylidenemethanimidamide
CID 143488080
N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide
CID 130242785
N-[(E)-2-fluorobut-1-enyl]methanimine
CID 134191875
(Z)-3-fluoroprop-1-ene-1,2-diol
CID 157010878
N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine
CID 143137325
N-[(E)-hex-3-en-3-yl]methanimine
CID 130348791
N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide
CID 142925929
N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
(3E)-2,3-difluoro-5-methylidenehepta-1,3-diene
CID 142945501
N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine
CID 88579421
ethane;(1E,6Z)-2-fluoro-6-methylcycloocta-1,3,6-triene;N'-[(Z)-hydroxy(3H-pyridin-2-ylidene)methyl]-N-methylidenemethanimidamide;methoxymethane;propane
CID 143372731

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide (CID 143740875) is N'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide is C=N/C=N/C(CC)=C(/O)CF.
What is the InChIKey of N'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide?
The InChIKey is ZIGRHQWVYOABOK-XYLIHAQWSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-3-6(7(11)4-8)10-5-9-2/h5,11H,2-4H2,1H3/b7-6+,10-5+.
What are the key properties of N'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide?
N'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide has a molecular weight of 158.18 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide is sourced from PubChem (CID 143740875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).