2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol

C11H20F3NO — CID 115894757

IUPAC2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol
SMILESCC(CC(F)(F)F)NCC1(CCO)CCC1
InChIInChI=1S/C11H20F3NO/c1-9(7-11(12,13)14)15-8-10(5-6-16)3-2-4-10/h9,15-16H,2-8H2,1H3
InChIKeyGMKMJKHHFIUAKJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds6

About 2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol

2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol (PubChem CID 115894757) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol.

Molecular Properties

Compound Name2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol
PubChem CID115894757
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol
SMILESCC(CC(F)(F)F)NCC1(CCO)CCC1
InChIInChI=1S/C11H20F3NO/c1-9(7-11(12,13)14)15-8-10(5-6-16)3-2-4-10/h9,15-16H,2-8H2,1H3
InChIKeyGMKMJKHHFIUAKJ-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol?
The IUPAC name of 2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol (CID 115894757) is 2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol.
What is the SMILES notation for 2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol?
The canonical SMILES for 2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol is CC(CC(F)(F)F)NCC1(CCO)CCC1.
What is the InChIKey of 2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol?
The InChIKey is GMKMJKHHFIUAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(7-11(12,13)14)15-8-10(5-6-16)3-2-4-10/h9,15-16H,2-8H2,1H3.
What are the key properties of 2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol?
2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutyl]ethanol is sourced from PubChem (CID 115894757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).