N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

C14H22F3NO2 — CID 114630964

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H22F3NO2/c1-13(2)10(7-11(13)19)18-12(20)8-3-5-9(6-4-8)14(15,16)17/h8-11,19H,3-7H2,1-2H3,(H,18,20)
InChIKeyOPOQDHHFVSKGRS-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.63
Rot. Bonds2

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 114630964) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID114630964
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H22F3NO2/c1-13(2)10(7-11(13)19)18-12(20)8-3-5-9(6-4-8)14(15,16)17/h8-11,19H,3-7H2,1-2H3,(H,18,20)
InChIKeyOPOQDHHFVSKGRS-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

4,4,4-trifluoro-N-[(1R*)-1-(trans-3-hydroxycyclobutyl)propyl]butanamide
CID 91768221
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
N-(5-hydroxypentan-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80416616
N-(4-hydroxybutan-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81050054
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929444
N-(1-hydroxypropan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932175
N-(4-hydroxycyclohexyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932455
N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932541

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 114630964) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is CC1(C)C(O)CC1NC(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is OPOQDHHFVSKGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c1-13(2)10(7-11(13)19)18-12(20)8-3-5-9(6-4-8)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)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(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)-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114630964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).