fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate

C9H16FNO — CID 163278180

IUPACfluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate
SMILESC=C(C)/C(=N/C=C\C)OC.CF
InChIInChI=1S/C8H13NO.CH3F/c1-5-6-9-8(10-4)7(2)3;1-2/h5-6H,2H2,1,3-4H3;1H3/b6-5-,9-8-;
InChIKeyCIAPOKXMXNZXHW-YYYWGHDMSA-N
MW173.23 g/mol
LogP2.73
Rot. Bonds2

About fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate

fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate (PubChem CID 163278180) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate.

Molecular Properties

Compound Namefluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate
PubChem CID163278180
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Namefluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate
SMILESC=C(C)/C(=N/C=C\C)OC.CF
InChIInChI=1S/C8H13NO.CH3F/c1-5-6-9-8(10-4)7(2)3;1-2/h5-6H,2H2,1,3-4H3;1H3/b6-5-,9-8-;
InChIKeyCIAPOKXMXNZXHW-YYYWGHDMSA-N
XLogP2.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

methyl N-[(E)-prop-1-enyl]ethanimidate
CID 142215629
2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 156522568
fluoromethane;2-methoxyprop-1-ene
CID 143721713
methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate
CID 145277565
methyl (Z)-N-ethenyl-2-methylbut-2-enimidate
CID 143178409
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 143380031
N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide
CID 155705669
1-[(3S)-3,4,4-trifluoro-1-[N-[(Z)-prop-1-enyl]-C-prop-1-en-2-ylcarbonimidoyl]pyrrolidin-3-yl]ethanone
CID 134356612
N-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]formamide
CID 136593314
trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium
CID 170257532
3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine
CID 146342540
(Z)-N-[(E)-prop-1-enyl]pent-3-en-2-imine
CID 143911032

Frequently Asked Questions

What is the IUPAC name of fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate?
The IUPAC name of fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate (CID 163278180) is fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate.
What is the SMILES notation for fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate?
The canonical SMILES for fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate is C=C(C)/C(=N/C=C\C)OC.CF.
What is the InChIKey of fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate?
The InChIKey is CIAPOKXMXNZXHW-YYYWGHDMSA-N. The full InChI is InChI=1S/C8H13NO.CH3F/c1-5-6-9-8(10-4)7(2)3;1-2/h5-6H,2H2,1,3-4H3;1H3/b6-5-,9-8-;.
What are the key properties of fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate?
fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate has a molecular weight of 173.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate is sourced from PubChem (CID 163278180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).