2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide

C12H20ClF2NO — CID 67530857

IUPAC2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide
SMILESCC(C)(CC1CCC(F)(F)CC1)NC(=O)CCl
InChIInChI=1S/C12H20ClF2NO/c1-11(2,16-10(17)8-13)7-9-3-5-12(14,15)6-4-9/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyFJKMENYURZJCJJ-UHFFFAOYSA-N
MW267.75 g/mol
LogP3.34
Rot. Bonds4

About 2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide

2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide (PubChem CID 67530857) has the molecular formula C12H20ClF2NO and a molecular weight of 267.75 g/mol. Its IUPAC name is 2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide
PubChem CID67530857
Molecular FormulaC12H20ClF2NO
Molecular Weight267.75 g/mol
Exact Mass267.12
IUPAC Name2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide
SMILESCC(C)(CC1CCC(F)(F)CC1)NC(=O)CCl
InChIInChI=1S/C12H20ClF2NO/c1-11(2,16-10(17)8-13)7-9-3-5-12(14,15)6-4-9/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyFJKMENYURZJCJJ-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide (CID 67530857) is 2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide is CC(C)(CC1CCC(F)(F)CC1)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide?
The InChIKey is FJKMENYURZJCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClF2NO/c1-11(2,16-10(17)8-13)7-9-3-5-12(14,15)6-4-9/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide?
2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide has a molecular weight of 267.75 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide is sourced from PubChem (CID 67530857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).