4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide

C13H22F2N2O2 — CID 114760178

IUPAC4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1(O)CCNC1)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H22F2N2O2/c1-17(9-12(19)6-7-16-8-12)11(18)10-2-4-13(14,15)5-3-10/h10,16,19H,2-9H2,1H3
InChIKeyGLLWWLAYXBFFND-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.99
Rot. Bonds3

About 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide

4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 114760178) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID114760178
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1(O)CCNC1)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H22F2N2O2/c1-17(9-12(19)6-7-16-8-12)11(18)10-2-4-13(14,15)5-3-10/h10,16,19H,2-9H2,1H3
InChIKeyGLLWWLAYXBFFND-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohexyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 72002113
2-Ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one
CID 156461916
N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79019740
N-(2-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79039175
N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79039207
N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929519
N-(2-hydroxy-2,4-dimethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929520
N-(2-hydroxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932641
4,4-difluoro-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 81932642
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932654
N-(2-hydroxy-2-methylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932663
4,4-difluoro-N-(2-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide
CID 81932664

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide (CID 114760178) is 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide is CN(CC1(O)CCNC1)C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is GLLWWLAYXBFFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c1-17(9-12(19)6-7-16-8-12)11(18)10-2-4-13(14,15)5-3-10/h10,16,19H,2-9H2,1H3.
What are the key properties of 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide?
4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 276.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 114760178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).