[5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

C13H24F3NO — CID 61044735

IUPAC[5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESCC1CCC(C(C)C)C(CO)(NCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-9(2)11-5-4-10(3)6-12(11,8-18)17-7-13(14,15)16/h9-11,17-18H,4-8H2,1-3H3
InChIKeyKKPZILYMZPOSFY-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.96
Rot. Bonds4

About [5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

[5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (PubChem CID 61044735) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is [5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
PubChem CID61044735
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name[5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESCC1CCC(C(C)C)C(CO)(NCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-9(2)11-5-4-10(3)6-12(11,8-18)17-7-13(14,15)16/h9-11,17-18H,4-8H2,1-3H3
InChIKeyKKPZILYMZPOSFY-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 62543978
[1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 61048406
2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid
CID 65236938
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
[1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 63428170
[5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol
CID 63428303
2-[1-(ethylamino)-5-methyl-2-propan-2-ylcyclohexyl]acetamide
CID 65233567
[1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 63428390
N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 141209786
ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane
CID 171106643
1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 62772775
1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide
CID 175745100

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The IUPAC name of [5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (CID 61044735) is [5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.
What is the SMILES notation for [5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The canonical SMILES for [5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is CC1CCC(C(C)C)C(CO)(NCC(F)(F)F)C1.
What is the InChIKey of [5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The InChIKey is KKPZILYMZPOSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-9(2)11-5-4-10(3)6-12(11,8-18)17-7-13(14,15)16/h9-11,17-18H,4-8H2,1-3H3.
What are the key properties of [5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
[5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol has a molecular weight of 267.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is sourced from PubChem (CID 61044735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).