N-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C14H22F3NO3 — CID 79037272

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1(O)CCOCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO3/c15-14(16,17)11-3-1-2-10(8-11)12(19)18-9-13(20)4-6-21-7-5-13/h10-11,20H,1-9H2,(H,18,19)
InChIKeyAALJRNPFGFOUDL-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.01
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 79037272) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID79037272
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1(O)CCOCC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO3/c15-14(16,17)11-3-1-2-10(8-11)12(19)18-9-13(20)4-6-21-7-5-13/h10-11,20H,1-9H2,(H,18,19)
InChIKeyAALJRNPFGFOUDL-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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 79037272) is N-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCC1(O)CCOCC1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is AALJRNPFGFOUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c15-14(16,17)11-3-1-2-10(8-11)12(19)18-9-13(20)4-6-21-7-5-13/h10-11,20H,1-9H2,(H,18,19).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-3-(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-[(4-hydroxyoxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79037272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).