4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol

C12H22F3NO — CID 158091513

IUPAC4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)(C)NCC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-10(2,3)16-8-9-4-6-11(17,7-5-9)12(13,14)15/h9,16-17H,4-8H2,1-3H3
InChIKeyMADAZHIXKQSWLZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.86
Rot. Bonds2

About 4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol

4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 158091513) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID158091513
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)(C)NCC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-10(2,3)16-8-9-4-6-11(17,7-5-9)12(13,14)15/h9,16-17H,4-8H2,1-3H3
InChIKeyMADAZHIXKQSWLZ-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 83916810
Ethane;4-(ethylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 166157677
4-[(Propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol
CID 166157735
4-[(Tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol
CID 166567760
4-(Propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 167249349
4,4-Difluoro-1-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 177955087
1-[1-(Ethylamino)ethyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756713
1-(Methylaminomethyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757354
1-(Ethylaminomethyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757355
1-(Propylaminomethyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757356
1-[(Propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757357
1-[(Cyclopropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757553

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol (CID 158091513) is 4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol is CC(C)(C)NCC1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is MADAZHIXKQSWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(2,3)16-8-9-4-6-11(17,7-5-9)12(13,14)15/h9,16-17H,4-8H2,1-3H3.
What are the key properties of 4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol?
4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 158091513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).