2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol

C11H21F3N2O — CID 121379110

IUPAC2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol
SMILESCCC(O)(CNC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-2-10(17,11(12,13)14)7-16-9-5-3-8(15)4-6-9/h8-9,16-17H,2-7,15H2,1H3
InChIKeyJRFGSWSBBYIOMA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.55
Rot. Bonds4

About 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol

2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol (PubChem CID 121379110) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol
PubChem CID121379110
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol
SMILESCCC(O)(CNC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-2-10(17,11(12,13)14)7-16-9-5-3-8(15)4-6-9/h8-9,16-17H,2-7,15H2,1H3
InChIKeyJRFGSWSBBYIOMA-UHFFFAOYSA-N
XLogP1.55
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol (CID 121379110) is 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol is CCC(O)(CNC1CCC(N)CC1)C(F)(F)F.
What is the InChIKey of 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol?
The InChIKey is JRFGSWSBBYIOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-10(17,11(12,13)14)7-16-9-5-3-8(15)4-6-9/h8-9,16-17H,2-7,15H2,1H3.
What are the key properties of 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol?
2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 121379110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).