N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C11H16F5NO2 — CID 104858222

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC(F)(F)CO)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F5NO2/c12-10(13,6-18)5-17-9(19)7-2-1-3-8(4-7)11(14,15)16/h7-8,18H,1-6H2,(H,17,19)
InChIKeyMWTLOTIJHHCUHE-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.10
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104858222) has the molecular formula C11H16F5NO2 and a molecular weight of 289.24 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104858222
Molecular FormulaC11H16F5NO2
Molecular Weight289.24 g/mol
Exact Mass289.11
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC(F)(F)CO)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F5NO2/c12-10(13,6-18)5-17-9(19)7-2-1-3-8(4-7)11(14,15)16/h7-8,18H,1-6H2,(H,17,19)
InChIKeyMWTLOTIJHHCUHE-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81368776
N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103918890
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80712184
N-(4-chlorobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106845327
N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119507185
N-(6-iodohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107848037
N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79002982
N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106145635
N-(5-hydroxy-4-methylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103861947
6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid
CID 78979666
N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81478379

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104858222) is N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCC(F)(F)CO)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is MWTLOTIJHHCUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F5NO2/c12-10(13,6-18)5-17-9(19)7-2-1-3-8(4-7)11(14,15)16/h7-8,18H,1-6H2,(H,17,19).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 289.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104858222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).