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

C14H22F3NO2 — CID 114631228

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO2/c1-13(2)10(7-11(13)19)18-12(20)8-4-3-5-9(6-8)14(15,16)17/h8-11,19H,3-7H2,1-2H3,(H,18,20)
InChIKeyISYPACDEAINPAB-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.63
Rot. Bonds2

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

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 114631228) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID114631228
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO2/c1-13(2)10(7-11(13)19)18-12(20)8-4-3-5-9(6-8)14(15,16)17/h8-11,19H,3-7H2,1-2H3,(H,18,20)
InChIKeyISYPACDEAINPAB-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-oxocyclohexane-1-carboxamide
CID 126811979
(2S)-2-amino-3-(4,4-difluorocyclohexyl)-N-(3-hydroxycyclobutyl)propanamide
CID 177043223
N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78888004
N-(3-hydroxybutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78995390
N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79002982
N-[(2-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79026362
N-(2-ethyl-4-hydroxybutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80341285
N-(5-hydroxypentan-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80416616
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80712184
N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80741618
N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80741892
N-(4-hydroxybutan-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81050054

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 114631228) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CC1(C)C(O)CC1NC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is ISYPACDEAINPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c1-13(2)10(7-11(13)19)18-12(20)8-4-3-5-9(6-8)14(15,16)17/h8-11,19H,3-7H2,1-2H3,(H,18,20).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114631228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).