N-(cyclohexylmethyl)-2,2-difluoroacetamide

C9H15F2NO — CID 103600604

IUPACN-(cyclohexylmethyl)-2,2-difluoroacetamide
SMILESO=C(NCC1CCCCC1)C(F)F
InChIInChI=1S/C9H15F2NO/c10-8(11)9(13)12-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,12,13)
InChIKeyRQYCNFFICUFGPR-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.95
Rot. Bonds3

About N-(cyclohexylmethyl)-2,2-difluoroacetamide

N-(cyclohexylmethyl)-2,2-difluoroacetamide (PubChem CID 103600604) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,2-difluoroacetamide
PubChem CID103600604
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC NameN-(cyclohexylmethyl)-2,2-difluoroacetamide
SMILESO=C(NCC1CCCCC1)C(F)F
InChIInChI=1S/C9H15F2NO/c10-8(11)9(13)12-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,12,13)
InChIKeyRQYCNFFICUFGPR-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,2-difluoroacetamide?
The IUPAC name of N-(cyclohexylmethyl)-2,2-difluoroacetamide (CID 103600604) is N-(cyclohexylmethyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2,2-difluoroacetamide is O=C(NCC1CCCCC1)C(F)F.
What is the InChIKey of N-(cyclohexylmethyl)-2,2-difluoroacetamide?
The InChIKey is RQYCNFFICUFGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-8(11)9(13)12-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,12,13).
What are the key properties of N-(cyclohexylmethyl)-2,2-difluoroacetamide?
N-(cyclohexylmethyl)-2,2-difluoroacetamide has a molecular weight of 191.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,2-difluoroacetamide is sourced from PubChem (CID 103600604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).