N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide

C14H22F3NO3 — CID 107301818

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H22F3NO3/c1-9-13(20,6-7-21-9)8-18-12(19)10-2-4-11(5-3-10)14(15,16)17/h9-11,20H,2-8H2,1H3,(H,18,19)
InChIKeyYXXYITNTRMMORK-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.01
Rot. Bonds3

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 107301818) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID107301818
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H22F3NO3/c1-9-13(20,6-7-21-9)8-18-12(19)10-2-4-11(5-3-10)14(15,16)17/h9-11,20H,2-8H2,1H3,(H,18,19)
InChIKeyYXXYITNTRMMORK-UHFFFAOYSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 107301818) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide is CC1OCCC1(O)CNC(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is YXXYITNTRMMORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c1-9-13(20,6-7-21-9)8-18-12(19)10-2-4-11(5-3-10)14(15,16)17/h9-11,20H,2-8H2,1H3,(H,18,19).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107301818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).