ethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide

C14H20FNO — CID 145172144

IUPACethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide
SMILESC/C(=C/N(C)C=O)c1ccc(F)cc1C.CC
InChIInChI=1S/C12H14FNO.C2H6/c1-9-6-11(13)4-5-12(9)10(2)7-14(3)8-15;1-2/h4-8H,1-3H3;1-2H3/b10-7-;
InChIKeyJBMJGTWVEINPSG-VEZAGKLZSA-N
MW237.32 g/mol
LogP3.61
Rot. Bonds3

About ethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide

ethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide (PubChem CID 145172144) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is ethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide.

Molecular Properties

Compound Nameethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide
PubChem CID145172144
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Nameethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide
SMILESC/C(=C/N(C)C=O)c1ccc(F)cc1C.CC
InChIInChI=1S/C12H14FNO.C2H6/c1-9-6-11(13)4-5-12(9)10(2)7-14(3)8-15;1-2/h4-8H,1-3H3;1-2H3/b10-7-;
InChIKeyJBMJGTWVEINPSG-VEZAGKLZSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
N'-acetyl-4-fluoro-2-methylbenzohydrazide
CID 115745372
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326
3-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 116612404
4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide
CID 112702416
N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
CID 115745905
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528
1-(4-fluoro-2-methylphenyl)ethanimine
CID 118373171
ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide
CID 169270080
(2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 79020544

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide?
The IUPAC name of ethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide (CID 145172144) is ethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide.
What is the SMILES notation for ethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide?
The canonical SMILES for ethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide is C/C(=C/N(C)C=O)c1ccc(F)cc1C.CC.
What is the InChIKey of ethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide?
The InChIKey is JBMJGTWVEINPSG-VEZAGKLZSA-N. The full InChI is InChI=1S/C12H14FNO.C2H6/c1-9-6-11(13)4-5-12(9)10(2)7-14(3)8-15;1-2/h4-8H,1-3H3;1-2H3/b10-7-;.
What are the key properties of ethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide?
ethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide has a molecular weight of 237.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide is sourced from PubChem (CID 145172144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).