N-(4,4-difluorocyclohexyl)-N-methylbutanamide

C11H19F2NO — CID 143573691

IUPACN-(4,4-difluorocyclohexyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)C1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2NO/c1-3-4-10(15)14(2)9-5-7-11(12,13)8-6-9/h9H,3-8H2,1-2H3
InChIKeyGBMCTGJXYFAJIB-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.82
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-N-methylbutanamide

N-(4,4-difluorocyclohexyl)-N-methylbutanamide (PubChem CID 143573691) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-N-methylbutanamide
PubChem CID143573691
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC NameN-(4,4-difluorocyclohexyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)C1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2NO/c1-3-4-10(15)14(2)9-5-7-11(12,13)8-6-9/h9H,3-8H2,1-2H3
InChIKeyGBMCTGJXYFAJIB-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-N-methylbutanamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-N-methylbutanamide (CID 143573691) is N-(4,4-difluorocyclohexyl)-N-methylbutanamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-N-methylbutanamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-N-methylbutanamide is CCCC(=O)N(C)C1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-N-methylbutanamide?
The InChIKey is GBMCTGJXYFAJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-3-4-10(15)14(2)9-5-7-11(12,13)8-6-9/h9H,3-8H2,1-2H3.
What are the key properties of N-(4,4-difluorocyclohexyl)-N-methylbutanamide?
N-(4,4-difluorocyclohexyl)-N-methylbutanamide has a molecular weight of 219.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-N-methylbutanamide is sourced from PubChem (CID 143573691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).