1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol

C10H18F3NO — CID 63901482

IUPAC1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol
SMILESCC1(NCC(O)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NO/c1-9(5-3-2-4-6-9)14-7-8(15)10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyAXKIKQLKMKHAIT-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.22
Rot. Bonds3

About 1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol

1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol (PubChem CID 63901482) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol
PubChem CID63901482
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol
SMILESCC1(NCC(O)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NO/c1-9(5-3-2-4-6-9)14-7-8(15)10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyAXKIKQLKMKHAIT-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol (CID 63901482) is 1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol is CC1(NCC(O)C(F)(F)F)CCCCC1.
What is the InChIKey of 1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is AXKIKQLKMKHAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(5-3-2-4-6-9)14-7-8(15)10(11,12)13/h8,14-15H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(1-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 63901482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).