1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol

C13H24F3NO — CID 79067069

IUPAC1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol
SMILESCC1CCC(C(O)CCC(F)(F)F)(N(C)C)CC1
InChIInChI=1S/C13H24F3NO/c1-10-4-7-12(8-5-10,17(2)3)11(18)6-9-13(14,15)16/h10-11,18H,4-9H2,1-3H3
InChIKeyQOCYKTMEGMXIFQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.20
Rot. Bonds4

About 1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol

1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol (PubChem CID 79067069) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol
PubChem CID79067069
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol
SMILESCC1CCC(C(O)CCC(F)(F)F)(N(C)C)CC1
InChIInChI=1S/C13H24F3NO/c1-10-4-7-12(8-5-10,17(2)3)11(18)6-9-13(14,15)16/h10-11,18H,4-9H2,1-3H3
InChIKeyQOCYKTMEGMXIFQ-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol (CID 79067069) is 1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol is CC1CCC(C(O)CCC(F)(F)F)(N(C)C)CC1.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol?
The InChIKey is QOCYKTMEGMXIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10-4-7-12(8-5-10,17(2)3)11(18)6-9-13(14,15)16/h10-11,18H,4-9H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol?
1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-4-methylcyclohexyl]-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 79067069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).