N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide

C14H24ClF2NO — CID 114177886

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCC(C)(C)C(CCCl)NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H24ClF2NO/c1-13(2,3)11(6-9-15)18-12(19)10-4-7-14(16,17)8-5-10/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeyIJCNANMQGBLWDZ-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.97
Rot. Bonds4

About N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide

N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 114177886) has the molecular formula C14H24ClF2NO and a molecular weight of 295.80 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide
PubChem CID114177886
Molecular FormulaC14H24ClF2NO
Molecular Weight295.80 g/mol
Exact Mass295.15
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCC(C)(C)C(CCCl)NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H24ClF2NO/c1-13(2,3)11(6-9-15)18-12(19)10-4-7-14(16,17)8-5-10/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeyIJCNANMQGBLWDZ-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 83180012
N-(1-chloro-4,4-dimethylpentan-3-yl)thiolane-3-carboxamide
CID 106355862
N-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 106355698
N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106355594
N-(1-chloro-4,4-dimethylpentan-3-yl)thiolane-2-carboxamide
CID 106355814
N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide
CID 106353098
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylcyclohexane-1-carboxamide
CID 106357091
N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide
CID 106117502
N-(1-chloro-4,4-dimethylpentan-3-yl)-1,4-dioxane-2-carboxamide
CID 106355533
N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride
CID 119325328
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide
CID 106355641
N-(4-chlorobutan-2-yl)oxane-4-carboxamide
CID 83180658

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide (CID 114177886) is N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide is CC(C)(C)C(CCCl)NC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is IJCNANMQGBLWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClF2NO/c1-13(2,3)11(6-9-15)18-12(19)10-4-7-14(16,17)8-5-10/h10-11H,4-9H2,1-3H3,(H,18,19).
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide?
N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 114177886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).