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

C11H21F3N2O — CID 121379158

IUPAC2-[[(4-aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol
SMILESNC1CCC(NCC(O)(CCF)C(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c12-6-5-11(17,10(13)14)7-16-9-3-1-8(15)2-4-9/h8-10,16-17H,1-7,15H2
InChIKeyDBOKCYISQHIGNA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.20
Rot. Bonds6

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

2-[[(4-aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol (PubChem CID 121379158) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-[[(4-aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol
PubChem CID121379158
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[[(4-aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol
SMILESNC1CCC(NCC(O)(CCF)C(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c12-6-5-11(17,10(13)14)7-16-9-3-1-8(15)2-4-9/h8-10,16-17H,1-7,15H2
InChIKeyDBOKCYISQHIGNA-UHFFFAOYSA-N
XLogP1.20
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-((trans-4-Aminocyclohexyl)amino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 68276339
2-[[(4-Aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol
CID 121379110
(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol
CID 121379122
2-[(4-Aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol
CID 121379123
3-(Cyclohexylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 121391562
1-(4-Aminocyclohexyl)-3-(trifluoromethyl)azetidin-3-ol
CID 129247927
(2S)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129247945
(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129247978
2-[(4-Aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129275943
(2R)-3-[(4-aminocyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 141338799
(2S)-3-[(4-aminocyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 141338815
(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen
CID 158943513

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol?
The IUPAC name of 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol (CID 121379158) is 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol.
What is the SMILES notation for 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol?
The canonical SMILES for 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol is NC1CCC(NCC(O)(CCF)C(F)F)CC1.
What is the InChIKey of 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol?
The InChIKey is DBOKCYISQHIGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c12-6-5-11(17,10(13)14)7-16-9-3-1-8(15)2-4-9/h8-10,16-17H,1-7,15H2.
What are the key properties of 2-[[(4-aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol?
2-[[(4-aminocyclohexyl)amino]methyl]-1,1,4-trifluorobutan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 1.20, 6 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]-1,1,4-trifluorobutan-2-ol is sourced from PubChem (CID 121379158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).