4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol

C14H26F3NO — CID 165491558

IUPAC4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N(C)CC(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-5-13(2,3)11-7-6-10(19)8-12(11)18(4)9-14(15,16)17/h10-12,19H,5-9H2,1-4H3
InChIKeyNRKRRQOXDCAEFT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.45
Rot. Bonds4

About 4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol

4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol (PubChem CID 165491558) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
PubChem CID165491558
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)CC1N(C)CC(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-5-13(2,3)11-7-6-10(19)8-12(11)18(4)9-14(15,16)17/h10-12,19H,5-9H2,1-4H3
InChIKeyNRKRRQOXDCAEFT-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,3-Difluoroazetidin-1-yl)-2-propan-2-ylcyclohexan-1-ol
CID 178922854
2-[Ethyl(2,2,2-trifluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 61766516
4-(2-Methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61766887
4-Tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609042
4-Tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609391
4-Tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609553
4-Tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609736
4-Propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62703991
4-Tert-butyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 63487884
4,4-Dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 64399048
4-Tert-butyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexan-1-ol
CID 65530303
4-(2-Methylbutan-2-yl)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol
CID 65530975

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol (CID 165491558) is 4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol is CCC(C)(C)C1CCC(O)CC1N(C)CC(F)(F)F.
What is the InChIKey of 4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The InChIKey is NRKRRQOXDCAEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-5-13(2,3)11-7-6-10(19)8-12(11)18(4)9-14(15,16)17/h10-12,19H,5-9H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 165491558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).