3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol

C13H24F3NO — CID 165457814

IUPAC3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)C1CCC(C(O)(CN)C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-11(2,3)9-4-6-10(7-5-9)12(18,8-17)13(14,15)16/h9-10,18H,4-8,17H2,1-3H3
InChIKeyNHAREYWFOONEHK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.09
Rot. Bonds2

About 3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol

3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 165457814) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol
PubChem CID165457814
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)C1CCC(C(O)(CN)C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-11(2,3)9-4-6-10(7-5-9)12(18,8-17)13(14,15)16/h9-10,18H,4-8,17H2,1-3H3
InChIKeyNHAREYWFOONEHK-UHFFFAOYSA-N
XLogP3.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol
CID 115034947
3-amino-2-cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 83916807
1-tert-butyl-4-(trifluoromethyl)cyclohexane
CID 23233590
2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol
CID 70644379
(4-tert-butylcyclohexyl)methanamine;hydrochloride
CID 12568254
2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 65185190
(4-tert-butylcycloheptyl)methanamine
CID 65089670
1-amino-2-(4-methylcyclohexyl)propan-2-ol
CID 66039594
(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane
CID 174327179
5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol
CID 113428622
(4S)-2-cyclopropyl-1,1,1-trifluoro-4-methyliodanuidylhexan-2-ol
CID 163628225
1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol
CID 107135690

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol (CID 165457814) is 3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol is CC(C)(C)C1CCC(C(O)(CN)C(F)(F)F)CC1.
What is the InChIKey of 3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is NHAREYWFOONEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-11(2,3)9-4-6-10(7-5-9)12(18,8-17)13(14,15)16/h9-10,18H,4-8,17H2,1-3H3.
What are the key properties of 3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol?
3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 267.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 165457814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).