N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C12H20F3NO4 — CID 107845636

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NC(CO)(CO)CO)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3NO4/c13-12(14,15)9-4-2-1-3-8(9)10(20)16-11(5-17,6-18)7-19/h8-9,17-19H,1-7H2,(H,16,20)
InChIKeyIKIDAMNUWSMKJZ-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.19
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 107845636) has the molecular formula C12H20F3NO4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID107845636
Molecular FormulaC12H20F3NO4
Molecular Weight299.29 g/mol
Exact Mass299.13
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NC(CO)(CO)CO)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3NO4/c13-12(14,15)9-4-2-1-3-8(9)10(20)16-11(5-17,6-18)7-19/h8-9,17-19H,1-7H2,(H,16,20)
InChIKeyIKIDAMNUWSMKJZ-UHFFFAOYSA-N
XLogP0.19
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622783
N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 113224088
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622515
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107846643
N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583697
N-(4-bromocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622785
N-(1-hydroxy-3-methylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622437
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103891082
cyclopropyl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105107408
cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carbonyl fluoride
CID 45081770
N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115737026
N-(4-iodobutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106846363

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 107845636) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NC(CO)(CO)CO)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is IKIDAMNUWSMKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO4/c13-12(14,15)9-4-2-1-3-8(9)10(20)16-11(5-17,6-18)7-19/h8-9,17-19H,1-7H2,(H,16,20).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 0.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107845636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).