trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol

C9H16F3NO — CID 102734813

IUPACtrans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol
SMILESCN(CCC(F)(F)F)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H16F3NO/c1-13(6-5-9(10,11)12)7-3-2-4-8(7)14/h7-8,14H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyGAQVCVZEWQUAOO-HTQZYQBOSA-N
MW211.23 g/mol
LogP1.78
Rot. Bonds3

About trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol

trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol (PubChem CID 102734813) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol
PubChem CID102734813
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Nametrans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol
SMILESCN(CCC(F)(F)F)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C9H16F3NO/c1-13(6-5-9(10,11)12)7-3-2-4-8(7)14/h7-8,14H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyGAQVCVZEWQUAOO-HTQZYQBOSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
CID 102734361
2-[cyclopropylmethyl(methyl)amino]cyclopentan-1-ol
CID 60985143
2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
CID 115773222
trans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
CID 104954609
2-[3-(dimethylamino)propyl-methylamino]cyclohexan-1-ol
CID 63698872
2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 81061768
trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 102734882
trans-(1R,2R)-2-[3-methoxypropyl(methyl)amino]cyclopentan-1-ol
CID 102734703
trans-(1R,2R)-2-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 104954570
3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]propanenitrile
CID 102731792
2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol
CID 107704896
2-(aminomethyl)-N-methyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 115514927

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol (CID 102734813) is trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol is CN(CCC(F)(F)F)[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol?
The InChIKey is GAQVCVZEWQUAOO-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13(6-5-9(10,11)12)7-3-2-4-8(7)14/h7-8,14H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102734813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).