2-chloro-N-cyclohexyl-2-fluoroacetamide

C8H13ClFNO — CID 23235145

IUPAC2-chloro-N-cyclohexyl-2-fluoroacetamide
SMILESO=C(NC1CCCCC1)C(F)Cl
InChIInChI=1S/C8H13ClFNO/c9-7(10)8(12)11-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,11,12)
InChIKeyKFHQUCZMOLZBIQ-UHFFFAOYSA-N
MW193.65 g/mol
LogP1.97
Rot. Bonds2

About 2-chloro-N-cyclohexyl-2-fluoroacetamide

2-chloro-N-cyclohexyl-2-fluoroacetamide (PubChem CID 23235145) has the molecular formula C8H13ClFNO and a molecular weight of 193.65 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-2-fluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-2-fluoroacetamide
PubChem CID23235145
Molecular FormulaC8H13ClFNO
Molecular Weight193.65 g/mol
Exact Mass193.07
IUPAC Name2-chloro-N-cyclohexyl-2-fluoroacetamide
SMILESO=C(NC1CCCCC1)C(F)Cl
InChIInChI=1S/C8H13ClFNO/c9-7(10)8(12)11-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,11,12)
InChIKeyKFHQUCZMOLZBIQ-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.65
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-N-cyclohexylacetamide
CID 222365
2-chloro-N-(heptan-2-yl)acetamide
CID 244074
Acetamide, N-cyclohexyl-2-fluoro-
CID 120745
2-chloro-N-cyclohexylpropanamide
CID 3613317
2,2,2-trichloro-N-cyclohexylacetamide
CID 306613
N-[4-(2,2-dichloroacetylamino)cyclohexyl]-2,2-dichloroacetamide
CID 897552
2-chloro-N-(4,4-difluorocyclohexyl)acetamide
CID 66851735
n-(2-Chlorocyclohexyl)acetamide
CID 275737
N-[(1R,2R)-2-Chlorocyclohexyl]acetamide
CID 12663105
N-[(1S,2S)-2-chlorocyclohexyl]acetamide
CID 92163228
2,2,2-trichloro-N-[(1S,2S)-2-chlorocyclohexyl]acetamide
CID 134933928
2,2,2-trichloro-N-[(1S,2R)-2-chlorocyclohexyl]acetamide
CID 134995928

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-2-fluoroacetamide?
The IUPAC name of 2-chloro-N-cyclohexyl-2-fluoroacetamide (CID 23235145) is 2-chloro-N-cyclohexyl-2-fluoroacetamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-2-fluoroacetamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-2-fluoroacetamide is O=C(NC1CCCCC1)C(F)Cl.
What is the InChIKey of 2-chloro-N-cyclohexyl-2-fluoroacetamide?
The InChIKey is KFHQUCZMOLZBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClFNO/c9-7(10)8(12)11-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,11,12).
What are the key properties of 2-chloro-N-cyclohexyl-2-fluoroacetamide?
2-chloro-N-cyclohexyl-2-fluoroacetamide has a molecular weight of 193.65 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-2-fluoroacetamide is sourced from PubChem (CID 23235145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).