4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide

C10H16F3NO3 — CID 67072863

IUPAC4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCOCNC(=O)C1(C(F)(F)F)CCC(O)CC1
InChIInChI=1S/C10H16F3NO3/c1-17-6-14-8(16)9(10(11,12)13)4-2-7(15)3-5-9/h7,15H,2-6H2,1H3,(H,14,16)
InChIKeyDPAQHOTZKICZFY-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.19
Rot. Bonds3

About 4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide

4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 67072863) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID67072863
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCOCNC(=O)C1(C(F)(F)F)CCC(O)CC1
InChIInChI=1S/C10H16F3NO3/c1-17-6-14-8(16)9(10(11,12)13)4-2-7(15)3-5-9/h7,15H,2-6H2,1H3,(H,14,16)
InChIKeyDPAQHOTZKICZFY-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide (CID 67072863) is 4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide is COCNC(=O)C1(C(F)(F)F)CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is DPAQHOTZKICZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-17-6-14-8(16)9(10(11,12)13)4-2-7(15)3-5-9/h7,15H,2-6H2,1H3,(H,14,16).
What are the key properties of 4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide?
4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(methoxymethyl)-1-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 67072863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).