2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol

C12H22F3NO — CID 65338144

IUPAC2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
SMILESCC(NC1CCCC(C(F)(F)F)C1)C(C)(C)O
InChIInChI=1S/C12H22F3NO/c1-8(11(2,3)17)16-10-6-4-5-9(7-10)12(13,14)15/h8-10,16-17H,4-7H2,1-3H3
InChIKeyNPYJTVQDQXQRLC-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.86
Rot. Bonds3

About 2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol

2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol (PubChem CID 65338144) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
PubChem CID65338144
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
SMILESCC(NC1CCCC(C(F)(F)F)C1)C(C)(C)O
InChIInChI=1S/C12H22F3NO/c1-8(11(2,3)17)16-10-6-4-5-9(7-10)12(13,14)15/h8-10,16-17H,4-7H2,1-3H3
InChIKeyNPYJTVQDQXQRLC-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol with MolForge

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Related Compounds

1,1,1-Trifluoro-2-[(4-methylcyclohexyl)amino]propan-2-ol
CID 17842183
2-(Cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 17842227
1-[(Propan-2-ylamino)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758875
3-[(4-Fluorocyclohexyl)methylamino]butan-2-ol
CID 89729225
2-[[(4-Aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol
CID 121379110
2-[[(4-Aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol
CID 121379158
3-(Cyclohexylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 121391562
(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 126558146
4,4-Difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol
CID 134570750
4,4-Difluoro-1-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 177955087
1,1,1-Trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]butan-2-ol
CID 178702077
1,1,1-Trifluoro-2-[[(4-propan-2-ylcyclohexyl)amino]methyl]butan-2-ol
CID 178702232

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The IUPAC name of 2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol (CID 65338144) is 2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol is CC(NC1CCCC(C(F)(F)F)C1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The InChIKey is NPYJTVQDQXQRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-8(11(2,3)17)16-10-6-4-5-9(7-10)12(13,14)15/h8-10,16-17H,4-7H2,1-3H3.
What are the key properties of 2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol has a molecular weight of 253.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol is sourced from PubChem (CID 65338144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).