N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride

C8H13F2NO — CID 54038097

IUPACN-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride
SMILESO=C(F)N(CF)C1CCCCC1
InChIInChI=1S/C8H13F2NO/c9-6-11(8(10)12)7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyLKJUAKLIICOZMG-UHFFFAOYSA-N
MW177.19 g/mol
LogP2.64
Rot. Bonds2

About N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride

N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride (PubChem CID 54038097) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride.

Molecular Properties

Compound NameN-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride
PubChem CID54038097
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC NameN-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride
SMILESO=C(F)N(CF)C1CCCCC1
InChIInChI=1S/C8H13F2NO/c9-6-11(8(10)12)7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyLKJUAKLIICOZMG-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-Cyclohexyl-2,2,2-trifluoro-N-methylacetamide
CID 62491979
N-cyclohexyl-N-(2,2,2-trifluoroethyl)formamide
CID 87617531
N-cyclohexyl-N-methylcarbamoyl fluoride
CID 89000244
N-(4,4-difluorocyclohexyl)-N-methylacetamide
CID 118929110
N-cyclohexyl-2-fluoro-N-(2-fluoroacetyl)acetamide
CID 156678166
N-(4-fluorocyclohexyl)-N-methylformamide
CID 166960911
Cyclohexyl(fluoromethyl)carbamic acid
CID 23328845
N-cyclohexyl-N-ethylcarbamoyl fluoride
CID 102596547
N-cyclohexyl-2,2-difluoro-N-methylacetamide
CID 103610493
CID 123795424
CID 123795424
N-(2-cyanoethyl)-N-cyclohexylcarbamoyl fluoride
CID 177455155
Cyclohexyl(fluoromethyl)carbamic acid;hydrofluoride
CID 70581297

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride?
The IUPAC name of N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride (CID 54038097) is N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride.
What is the SMILES notation for N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride?
The canonical SMILES for N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride is O=C(F)N(CF)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride?
The InChIKey is LKJUAKLIICOZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-6-11(8(10)12)7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride?
N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride has a molecular weight of 177.19 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(fluoromethyl)carbamoyl fluoride is sourced from PubChem (CID 54038097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).