4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C12H14F9NO2 — CID 87772862

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C12H14F9NO2/c13-9(14,15)5-22-8(23)6-1-3-7(4-2-6)10(24,11(16,17)18)12(19,20)21/h6-7,24H,1-5H2,(H,22,23)
InChIKeyWWEFPJPOZKUKRD-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.33
Rot. Bonds3

About 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 87772862) has the molecular formula C12H14F9NO2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID87772862
Molecular FormulaC12H14F9NO2
Molecular Weight375.23 g/mol
Exact Mass375.09
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C12H14F9NO2/c13-9(14,15)5-22-8(23)6-1-3-7(4-2-6)10(24,11(16,17)18)12(19,20)21/h6-7,24H,1-5H2,(H,22,23)
InChIKeyWWEFPJPOZKUKRD-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
CID 123444332
N-(2-cyclopropyl-2-hydroxypropyl)cyclobutanecarboxamide
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CID 126987345
cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide
CID 97068565
N-(2-cyclopropyl-2-hydroxypropyl)cyclohexanecarboxamide
CID 90499250
N-(2-hydroxy-2-propylpentyl)cyclopropanecarboxamide
CID 111444767
N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
CID 115491611
tert-butyl (3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylate
CID 67294567
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035
N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
CID 153313338
N-(2-bromo-2,2-difluoroethyl)cyclobutanecarboxamide
CID 131020411
4-amino-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63227240

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 87772862) is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is O=C(NCC(F)(F)F)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is WWEFPJPOZKUKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F9NO2/c13-9(14,15)5-22-8(23)6-1-3-7(4-2-6)10(24,11(16,17)18)12(19,20)21/h6-7,24H,1-5H2,(H,22,23).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 375.23 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 87772862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).