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

C13H20F3NO3 — CID 106834422

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1(O)CCOC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO3/c14-13(15,16)10-3-1-9(2-4-10)11(18)17-7-12(19)5-6-20-8-12/h9-10,19H,1-8H2,(H,17,18)
InChIKeyBKHXLBGLLBBTJU-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.62
Rot. Bonds3

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

N-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 106834422) has the molecular formula C13H20F3NO3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID106834422
Molecular FormulaC13H20F3NO3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1(O)CCOC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO3/c14-13(15,16)10-3-1-9(2-4-10)11(18)17-7-12(19)5-6-20-8-12/h9-10,19H,1-8H2,(H,17,18)
InChIKeyBKHXLBGLLBBTJU-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 106834422) is N-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCC1(O)CCOC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is BKHXLBGLLBBTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3/c14-13(15,16)10-3-1-9(2-4-10)11(18)17-7-12(19)5-6-20-8-12/h9-10,19H,1-8H2,(H,17,18).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106834422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).