2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine

C12H22F3NO — CID 66276842

IUPAC2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine
SMILESCC1CCCCC1NCCOC(C)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-9-5-3-4-6-11(9)16-7-8-17-10(2)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyBKXSFQPZXSJOQR-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds5

About 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine

2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine (PubChem CID 66276842) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine
PubChem CID66276842
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine
SMILESCC1CCCCC1NCCOC(C)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-9-5-3-4-6-11(9)16-7-8-17-10(2)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyBKXSFQPZXSJOQR-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine (CID 66276842) is 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine is CC1CCCCC1NCCOC(C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine?
The InChIKey is BKXSFQPZXSJOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9-5-3-4-6-11(9)16-7-8-17-10(2)12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine?
2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 66276842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).