4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane

C12H23F2NO — CID 165121944

IUPAC4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane
SMILESCC.CC(C)NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO.C2H6/c1-7(2)13-9(14)8-3-5-10(11,12)6-4-8;1-2/h7-8H,3-6H2,1-2H3,(H,13,14);1-2H3
InChIKeyYNCNVUNHHFCQBU-UHFFFAOYSA-N
MW235.32 g/mol
LogP3.36
Rot. Bonds2

About 4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane

4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane (PubChem CID 165121944) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane.

Molecular Properties

Compound Name4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane
PubChem CID165121944
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane
SMILESCC.CC(C)NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO.C2H6/c1-7(2)13-9(14)8-3-5-10(11,12)6-4-8;1-2/h7-8H,3-6H2,1-2H3,(H,13,14);1-2H3
InChIKeyYNCNVUNHHFCQBU-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane?
The IUPAC name of 4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane (CID 165121944) is 4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane.
What is the SMILES notation for 4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane?
The canonical SMILES for 4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane is CC.CC(C)NC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane?
The InChIKey is YNCNVUNHHFCQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO.C2H6/c1-7(2)13-9(14)8-3-5-10(11,12)6-4-8;1-2/h7-8H,3-6H2,1-2H3,(H,13,14);1-2H3.
What are the key properties of 4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane?
4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane has a molecular weight of 235.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide;ethane is sourced from PubChem (CID 165121944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).