2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide

C14H25F2NO — CID 129022770

IUPAC2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCN(C)C(=O)CC1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO/c1-11(2)6-9-17(3)13(18)10-12-4-7-14(15,16)8-5-12/h11-12H,4-10H2,1-3H3
InChIKeyHQCXUENHSIYNMP-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.71
Rot. Bonds5

About 2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide

2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide (PubChem CID 129022770) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide
PubChem CID129022770
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCN(C)C(=O)CC1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO/c1-11(2)6-9-17(3)13(18)10-12-4-7-14(15,16)8-5-12/h11-12H,4-10H2,1-3H3
InChIKeyHQCXUENHSIYNMP-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide (CID 129022770) is 2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide is CC(C)CCN(C)C(=O)CC1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide?
The InChIKey is HQCXUENHSIYNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-11(2)6-9-17(3)13(18)10-12-4-7-14(15,16)8-5-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide?
2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide has a molecular weight of 261.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-N-methyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 129022770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).