trans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol

C8H16FNO — CID 143016265

IUPACtrans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol
SMILESCNCC1C(C)C[C@@H](F)[C@H]1O
InChIInChI=1S/C8H16FNO/c1-5-3-7(9)8(11)6(5)4-10-2/h5-8,10-11H,3-4H2,1-2H3/t5?,6?,7-,8+/m1/s1
InChIKeyPZCRXYUDSNGBKA-CRYROECRSA-N
MW161.22 g/mol
LogP0.56
Rot. Bonds2

About trans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol

trans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol (PubChem CID 143016265) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is trans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol
PubChem CID143016265
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Nametrans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol
SMILESCNCC1C(C)C[C@@H](F)[C@H]1O
InChIInChI=1S/C8H16FNO/c1-5-3-7(9)8(11)6(5)4-10-2/h5-8,10-11H,3-4H2,1-2H3/t5?,6?,7-,8+/m1/s1
InChIKeyPZCRXYUDSNGBKA-CRYROECRSA-N
XLogP0.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Methylamino)methyl]cyclopentan-1-ol
CID 13133888
2-(Aminomethyl)-5-fluoro-3-methylcyclopentan-1-ol
CID 143016462
2-[(3,3,3-Trifluoropropylamino)methyl]cyclopentan-1-ol
CID 65836604
2-[(2,2-Difluoroethylamino)methyl]cyclopentan-1-ol
CID 65837627
2-[(2,2,2-Trifluoroethylamino)methyl]cyclopentan-1-ol
CID 65838636
2-[(2-Fluoroethylamino)methyl]cyclopentan-1-ol
CID 80693751
[2-[(2-Fluoroethylamino)methyl]cyclopentyl]methanol
CID 80693887
2-[(3-Fluoropropylamino)methyl]cyclopentan-1-ol
CID 81107077
[2-[(3-Fluoropropylamino)methyl]cyclopentyl]methanol
CID 81107200
2-(Methylamino)-1-[2-(trifluoromethyl)cyclopentyl]ethanol
CID 84026419
2-(Methylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol
CID 84733432
2-[(1,1-Difluoropropan-2-ylamino)methyl]cyclopentan-1-ol
CID 102869688

Frequently Asked Questions

What is the IUPAC name of trans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol (CID 143016265) is trans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol is CNCC1C(C)C[C@@H](F)[C@H]1O.
What is the InChIKey of trans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol?
The InChIKey is PZCRXYUDSNGBKA-CRYROECRSA-N. The full InChI is InChI=1S/C8H16FNO/c1-5-3-7(9)8(11)6(5)4-10-2/h5-8,10-11H,3-4H2,1-2H3/t5?,6?,7-,8+/m1/s1.
What are the key properties of trans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol?
trans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol has a molecular weight of 161.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,5R)-5-fluoro-3-methyl-2-(methylaminomethyl)cyclopentan-1-ol is sourced from PubChem (CID 143016265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).