N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride

C11H21F2NO3 — CID 166716428

IUPACN-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride
SMILESCC(C)(CCOC(C)(C)CNC(=O)F)OCF
InChIInChI=1S/C11H21F2NO3/c1-10(2,17-8-12)5-6-16-11(3,4)7-14-9(13)15/h5-8H2,1-4H3,(H,14,15)
InChIKeySOZTWXKLXCMZKM-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.57
Rot. Bonds8

About N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride

N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride (PubChem CID 166716428) has the molecular formula C11H21F2NO3 and a molecular weight of 253.29 g/mol. Its IUPAC name is N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride.

Molecular Properties

Compound NameN-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride
PubChem CID166716428
Molecular FormulaC11H21F2NO3
Molecular Weight253.29 g/mol
Exact Mass253.15
IUPAC NameN-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride
SMILESCC(C)(CCOC(C)(C)CNC(=O)F)OCF
InChIInChI=1S/C11H21F2NO3/c1-10(2,17-8-12)5-6-16-11(3,4)7-14-9(13)15/h5-8H2,1-4H3,(H,14,15)
InChIKeySOZTWXKLXCMZKM-UHFFFAOYSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide
CID 147135875
4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide
CID 143599719
2,2-dimethyl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxybutanoic acid
CID 89285371
[2-(3-methoxy-3-methylbutoxy)-2-methylpropyl]carbamoyl acetate
CID 118407791
N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411
2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 89044576
N-[3-[3-[3-(cyclooctylamino)-3-oxopropoxy]-3-methylbutoxy]-3-methylbutyl]carbamoyl fluoride
CID 134387390
S-[3-[[2-methyl-2-[3-methyl-3-(3-oxobutoxy)butoxy]propyl]amino]-3-oxopropyl] ethanethioate
CID 166977674
N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide
CID 142467765
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyethylcarbamic acid
CID 123941511
3-[3-(2-hydroxyethoxy)-3-methylbutoxy]-3-methylbutanoic acid
CID 166655528

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride?
The IUPAC name of N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride (CID 166716428) is N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride.
What is the SMILES notation for N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride?
The canonical SMILES for N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride is CC(C)(CCOC(C)(C)CNC(=O)F)OCF.
What is the InChIKey of N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride?
The InChIKey is SOZTWXKLXCMZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO3/c1-10(2,17-8-12)5-6-16-11(3,4)7-14-9(13)15/h5-8H2,1-4H3,(H,14,15).
What are the key properties of N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride?
N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride has a molecular weight of 253.29 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(fluoromethoxy)-3-methylbutoxy]-2-methylpropyl]carbamoyl fluoride is sourced from PubChem (CID 166716428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).