1,1,1-trifluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol

C12H22F3NO — CID 103778739

IUPAC1,1,1-trifluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol
SMILESCC1CC(C)(C)CCC1NCC(O)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-8-6-11(2,3)5-4-9(8)16-7-10(17)12(13,14)15/h8-10,16-17H,4-7H2,1-3H3
InChIKeyTVDWVPPFMXBSRJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.71
Rot. Bonds3

About 1,1,1-trifluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol

1,1,1-trifluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol (PubChem CID 103778739) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol
PubChem CID103778739
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1,1,1-trifluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol
SMILESCC1CC(C)(C)CCC1NCC(O)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-8-6-11(2,3)5-4-9(8)16-7-10(17)12(13,14)15/h8-10,16-17H,4-7H2,1-3H3
InChIKeyTVDWVPPFMXBSRJ-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol (CID 103778739) is 1,1,1-trifluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol is CC1CC(C)(C)CCC1NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol?
The InChIKey is TVDWVPPFMXBSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-8-6-11(2,3)5-4-9(8)16-7-10(17)12(13,14)15/h8-10,16-17H,4-7H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol has a molecular weight of 253.31 g/mol, XLogP of 2.71, 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-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 103778739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).