3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide

C13H21F2NO2 — CID 114226444

IUPAC3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C13H21F2NO2/c1-12(2)9(6-10(12)17)16-11(18)8-4-3-5-13(14,15)7-8/h8-10,17H,3-7H2,1-2H3,(H,16,18)
InChIKeyUAUCIYMLJKEMRE-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.09
Rot. Bonds2

About 3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide

3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide (PubChem CID 114226444) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is 3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide
PubChem CID114226444
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C13H21F2NO2/c1-12(2)9(6-10(12)17)16-11(18)8-4-3-5-13(14,15)7-8/h8-10,17H,3-7H2,1-2H3,(H,16,18)
InChIKeyUAUCIYMLJKEMRE-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 81932865
4,4,4-trifluoro-N-[(1R*)-1-(trans-3-hydroxycyclobutyl)propyl]butanamide
CID 91768221
2-cyclohexyl-N-[(3S)-1-hydroxy-4-methylpentan-3-yl]acetamide
CID 97012317
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-oxocyclohexane-1-carboxamide
CID 126811979
(4S)-N-ethyl-2,2-difluoro-3-hydroxy-4-methylheptanamide
CID 87104000
(2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide
CID 177043223
N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71922009
N-(3-hydroxybutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78995390
4-hydroxy-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 79200809
4-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
CID 79200898
4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide
CID 79203743
N-(5-hydroxypentan-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80416616

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide (CID 114226444) is 3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide is CC1(C)C(O)CC1NC(=O)C1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide?
The InChIKey is UAUCIYMLJKEMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-12(2)9(6-10(12)17)16-11(18)8-4-3-5-13(14,15)7-8/h8-10,17H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide?
3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114226444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).