2-chloro-N-(4,4-difluorocyclohexyl)acetamide

C8H12ClF2NO — CID 66851735

IUPAC2-chloro-N-(4,4-difluorocyclohexyl)acetamide
SMILESO=C(CCl)NC1CCC(F)(F)CC1
InChIInChI=1S/C8H12ClF2NO/c9-5-7(13)12-6-1-3-8(10,11)4-2-6/h6H,1-5H2,(H,12,13)
InChIKeyBWHJURIQSCBDJG-UHFFFAOYSA-N
MW211.64 g/mol
LogP1.92
Rot. Bonds2

About 2-chloro-N-(4,4-difluorocyclohexyl)acetamide

2-chloro-N-(4,4-difluorocyclohexyl)acetamide (PubChem CID 66851735) has the molecular formula C8H12ClF2NO and a molecular weight of 211.64 g/mol. Its IUPAC name is 2-chloro-N-(4,4-difluorocyclohexyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4,4-difluorocyclohexyl)acetamide
PubChem CID66851735
Molecular FormulaC8H12ClF2NO
Molecular Weight211.64 g/mol
Exact Mass211.06
IUPAC Name2-chloro-N-(4,4-difluorocyclohexyl)acetamide
SMILESO=C(CCl)NC1CCC(F)(F)CC1
InChIInChI=1S/C8H12ClF2NO/c9-5-7(13)12-6-1-3-8(10,11)4-2-6/h6H,1-5H2,(H,12,13)
InChIKeyBWHJURIQSCBDJG-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.64
LogP ≤ 51.92
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-(4,4-difluorocyclohexyl)acetamide?
The IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)acetamide (CID 66851735) is 2-chloro-N-(4,4-difluorocyclohexyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4,4-difluorocyclohexyl)acetamide?
The canonical SMILES for 2-chloro-N-(4,4-difluorocyclohexyl)acetamide is O=C(CCl)NC1CCC(F)(F)CC1.
What is the InChIKey of 2-chloro-N-(4,4-difluorocyclohexyl)acetamide?
The InChIKey is BWHJURIQSCBDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF2NO/c9-5-7(13)12-6-1-3-8(10,11)4-2-6/h6H,1-5H2,(H,12,13).
What are the key properties of 2-chloro-N-(4,4-difluorocyclohexyl)acetamide?
2-chloro-N-(4,4-difluorocyclohexyl)acetamide has a molecular weight of 211.64 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,4-difluorocyclohexyl)acetamide is sourced from PubChem (CID 66851735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).