2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol

C12H22F3NO — CID 62704871

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N(C)CC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-8(2)9-4-5-11(17)10(6-9)16(3)7-12(13,14)15/h8-11,17H,4-7H2,1-3H3
InChIKeyLGTJKWFRUPKHAC-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.67
Rot. Bonds3

About 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol

2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62704871) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID62704871
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N(C)CC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-8(2)9-4-5-11(17)10(6-9)16(3)7-12(13,14)15/h8-11,17H,4-7H2,1-3H3
InChIKeyLGTJKWFRUPKHAC-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol (CID 62704871) is 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(N(C)CC(F)(F)F)C1.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is LGTJKWFRUPKHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-8(2)9-4-5-11(17)10(6-9)16(3)7-12(13,14)15/h8-11,17H,4-7H2,1-3H3.
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62704871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).