butan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate

C9H19FN2O — CID 144698561

IUPACbutan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate
SMILESCCC(C)O/C(N)=N/C(C)(C)CF
InChIInChI=1S/C9H19FN2O/c1-5-7(2)13-8(11)12-9(3,4)6-10/h7H,5-6H2,1-4H3,(H2,11,12)
InChIKeyKPXXMAPZZDJRNA-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.86
Rot. Bonds4

About butan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate

butan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate (PubChem CID 144698561) has the molecular formula C9H19FN2O and a molecular weight of 190.26 g/mol. Its IUPAC name is butan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate.

Molecular Properties

Compound Namebutan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate
PubChem CID144698561
Molecular FormulaC9H19FN2O
Molecular Weight190.26 g/mol
Exact Mass190.15
IUPAC Namebutan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate
SMILESCCC(C)O/C(N)=N/C(C)(C)CF
InChIInChI=1S/C9H19FN2O/c1-5-7(2)13-8(11)12-9(3,4)6-10/h7H,5-6H2,1-4H3,(H2,11,12)
InChIKeyKPXXMAPZZDJRNA-UHFFFAOYSA-N
XLogP1.86
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
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

butan-2-yl 4,4-dimethylpentanoate
CID 89192130
butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate
CID 166505189
dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
butan-2-yl 2-amino-2-cyclopropylpropanoate
CID 60904237
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
butan-2-yl (2R)-2-aminopropanoate
CID 45086644
butan-2-yl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 57119421
2,2-di(butan-2-yloxy)ethenylsilane
CID 175600505
[(2S)-butan-2-yl] 3-fluoropropyl carbonate
CID 99769683
5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063336
dibutan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 139989360
butan-2-yl 2-bromo-2,2-difluoroacetate
CID 87123357

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate?
The IUPAC name of butan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate (CID 144698561) is butan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate.
What is the SMILES notation for butan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate?
The canonical SMILES for butan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate is CCC(C)O/C(N)=N/C(C)(C)CF.
What is the InChIKey of butan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate?
The InChIKey is KPXXMAPZZDJRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O/c1-5-7(2)13-8(11)12-9(3,4)6-10/h7H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of butan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate?
butan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate has a molecular weight of 190.26 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 butan-2-yl N'-(1-fluoro-2-methylpropan-2-yl)carbamimidate is sourced from PubChem (CID 144698561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).