N-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide

C12H21F2NO — CID 169193159

IUPACN-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCC(C)C(NC(=O)C1CC(F)(F)C1)C(C)C
InChIInChI=1S/C12H21F2NO/c1-7(2)10(8(3)4)15-11(16)9-5-12(13,14)6-9/h7-10H,5-6H2,1-4H3,(H,15,16)
InChIKeyQPZNMLWBJNMOEA-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.83
Rot. Bonds4

About N-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide

N-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 169193159) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide
PubChem CID169193159
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC NameN-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCC(C)C(NC(=O)C1CC(F)(F)C1)C(C)C
InChIInChI=1S/C12H21F2NO/c1-7(2)10(8(3)4)15-11(16)9-5-12(13,14)6-9/h7-10H,5-6H2,1-4H3,(H,15,16)
InChIKeyQPZNMLWBJNMOEA-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide (CID 169193159) is N-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide is CC(C)C(NC(=O)C1CC(F)(F)C1)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is QPZNMLWBJNMOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-7(2)10(8(3)4)15-11(16)9-5-12(13,14)6-9/h7-10H,5-6H2,1-4H3,(H,15,16).
What are the key properties of N-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide?
N-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 169193159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).