trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol

C11H20F3NO — CID 102731534

IUPACtrans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NCCCCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)7-3-4-8-15-9-5-1-2-6-10(9)16/h9-10,15-16H,1-8H2/t9-,10-/m1/s1
InChIKeyRPXPNVKLIAIRHQ-NXEZZACHSA-N
MW239.28 g/mol
LogP2.61
Rot. Bonds5

About trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol (PubChem CID 102731534) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol
PubChem CID102731534
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Nametrans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NCCCCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)7-3-4-8-15-9-5-1-2-6-10(9)16/h9-10,15-16H,1-8H2/t9-,10-/m1/s1
InChIKeyRPXPNVKLIAIRHQ-NXEZZACHSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol
CID 102733446
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731748
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
2-(nonylamino)cyclohexan-1-ol
CID 62360571
2-(3,3-dimethylbutylamino)cyclohexan-1-ol
CID 62359482
trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731704
trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol
CID 102733487
2-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64756873
trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
CID 102733877
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
trans-(1S,2S)-2-(2-cyclobutylethylamino)cyclopentan-1-ol
CID 102734088

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol (CID 102731534) is trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1NCCCCC(F)(F)F.
What is the InChIKey of trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol?
The InChIKey is RPXPNVKLIAIRHQ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)7-3-4-8-15-9-5-1-2-6-10(9)16/h9-10,15-16H,1-8H2/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol is sourced from PubChem (CID 102731534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).