4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol

C11H20F3NO — CID 64912582

IUPAC4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
SMILESCC(O)CCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8(16)6-7-15-10-4-2-9(3-5-10)11(12,13)14/h8-10,15-16H,2-7H2,1H3
InChIKeyLWZDYYCOYIYAAG-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds4

About 4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol

4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol (PubChem CID 64912582) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
PubChem CID64912582
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
SMILESCC(O)CCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8(16)6-7-15-10-4-2-9(3-5-10)11(12,13)14/h8-10,15-16H,2-7H2,1H3
InChIKeyLWZDYYCOYIYAAG-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

(2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99784563
1,1,1-Trifluoro-2-[(4-methylcyclohexyl)amino]propan-2-ol
CID 17842183
3-[[4-(Aminomethyl)cyclohexyl]-(2-fluoroethyl)amino]propan-1-ol
CID 88571724
3-[(4-Fluorocyclohexyl)methylamino]butan-2-ol
CID 89729225
(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 126558146
(2S,3S,4S,5R)-2-ethyl-3-(fluoromethyl)-5-methylpiperidin-4-ol
CID 164085911
1,1,1-Trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]butan-2-ol
CID 178702077
Ethane;1,1,1-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]butan-2-ol
CID 178702270
CID 4712667
CID 4712667
cyclohexylmethyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7153079
(2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 7153080
cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7153088

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The IUPAC name of 4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol (CID 64912582) is 4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol.
What is the SMILES notation for 4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The canonical SMILES for 4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol is CC(O)CCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The InChIKey is LWZDYYCOYIYAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(16)6-7-15-10-4-2-9(3-5-10)11(12,13)14/h8-10,15-16H,2-7H2,1H3.
What are the key properties of 4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)cyclohexyl]amino]butan-2-ol is sourced from PubChem (CID 64912582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).