4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol

C12H22F3NO2 — CID 65120554

IUPAC4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNCC(O)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2/c1-10(2)3-5-11(18,6-4-10)8-16-7-9(17)12(13,14)15/h9,16-18H,3-8H2,1-2H3
InChIKeyAHRDZRFQAKSUGD-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.83
Rot. Bonds4

About 4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol

4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65120554) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
PubChem CID65120554
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNCC(O)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2/c1-10(2)3-5-11(18,6-4-10)8-16-7-9(17)12(13,14)15/h9,16-18H,3-8H2,1-2H3
InChIKeyAHRDZRFQAKSUGD-UHFFFAOYSA-N
XLogP1.83
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]propanenitrile
CID 103367343
3-hydroxy-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]butanoic acid
CID 103253725
1-[(2-ethylhexylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 65121102
3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 81422253
4,4-dimethyl-1-(methylaminomethyl)cycloheptan-1-ol
CID 65087135
3-[(4-ethylcyclohexyl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901066
N'-hydroxy-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethanimidamide
CID 77056852
1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 113481682
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]butanoic acid
CID 65121052
1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol
CID 123282561
3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol
CID 115592465
1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
CID 64568933

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol (CID 65120554) is 4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol is CC1(C)CCC(O)(CNCC(O)C(F)(F)F)CC1.
What is the InChIKey of 4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is AHRDZRFQAKSUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-10(2)3-5-11(18,6-4-10)8-16-7-9(17)12(13,14)15/h9,16-18H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65120554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).