N-butyl-N-(2-fluorocyclohexyl)acetamide

C12H22FNO — CID 123723604

IUPACN-butyl-N-(2-fluorocyclohexyl)acetamide
SMILESCCCCN(C(C)=O)C1CCCCC1F
InChIInChI=1S/C12H22FNO/c1-3-4-9-14(10(2)15)12-8-6-5-7-11(12)13/h11-12H,3-9H2,1-2H3
InChIKeyWKYIOVPQKZZITL-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.92
Rot. Bonds4

About N-butyl-N-(2-fluorocyclohexyl)acetamide

N-butyl-N-(2-fluorocyclohexyl)acetamide (PubChem CID 123723604) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is N-butyl-N-(2-fluorocyclohexyl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(2-fluorocyclohexyl)acetamide
PubChem CID123723604
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC NameN-butyl-N-(2-fluorocyclohexyl)acetamide
SMILESCCCCN(C(C)=O)C1CCCCC1F
InChIInChI=1S/C12H22FNO/c1-3-4-9-14(10(2)15)12-8-6-5-7-11(12)13/h11-12H,3-9H2,1-2H3
InChIKeyWKYIOVPQKZZITL-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

n,n-Dihexylacetamide
CID 243972
Acetamide, N-cyclohexyl-N-methyl-
CID 243970
N-Cyclohexyl-2,2,2-trifluoro-N-methylacetamide
CID 62491979
N-[4-[acetyl(methyl)amino]cyclohexyl]-N-methylacetamide
CID 76310770
N-Cyclohexyl-N-ethylacetamide
CID 558465
1-Acetyl-2-methylpiperidine
CID 3361050
N,N-Dicyclohexyl-2,2,2-trifluoroacetamide
CID 543477
N,N-Dicyclohexylacetamide
CID 222401
N-cyclohexyl-2,2,2-trifluoro-N-propan-2-ylacetamide
CID 125502413
2,2,2-trifluoro-N-(3-fluorocyclohexyl)-N-propan-2-ylacetamide
CID 135064226
2,2,2-trifluoro-N-(4-fluorocyclohexyl)-N-propan-2-ylacetamide
CID 135080386
2,2,2-trifluoro-N-[(1S,3S)-3-fluorocyclohexyl]-N-propan-2-ylacetamide
CID 177852011

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-fluorocyclohexyl)acetamide?
The IUPAC name of N-butyl-N-(2-fluorocyclohexyl)acetamide (CID 123723604) is N-butyl-N-(2-fluorocyclohexyl)acetamide.
What is the SMILES notation for N-butyl-N-(2-fluorocyclohexyl)acetamide?
The canonical SMILES for N-butyl-N-(2-fluorocyclohexyl)acetamide is CCCCN(C(C)=O)C1CCCCC1F.
What is the InChIKey of N-butyl-N-(2-fluorocyclohexyl)acetamide?
The InChIKey is WKYIOVPQKZZITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-3-4-9-14(10(2)15)12-8-6-5-7-11(12)13/h11-12H,3-9H2,1-2H3.
What are the key properties of N-butyl-N-(2-fluorocyclohexyl)acetamide?
N-butyl-N-(2-fluorocyclohexyl)acetamide has a molecular weight of 215.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-fluorocyclohexyl)acetamide is sourced from PubChem (CID 123723604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).