trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol

C11H14FNO — CID 93345872

IUPACtrans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1ccccc1F
InChIInChI=1S/C11H14FNO/c12-8-4-1-2-5-9(8)13-10-6-3-7-11(10)14/h1-2,4-5,10-11,13-14H,3,6-7H2/t10-,11-/m0/s1
InChIKeyAIVZWMLWAYSUHL-QWRGUYRKSA-N
MW195.24 g/mol
LogP2.15
Rot. Bonds2

About trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol

trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol (PubChem CID 93345872) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol
PubChem CID93345872
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Nametrans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1ccccc1F
InChIInChI=1S/C11H14FNO/c12-8-4-1-2-5-9(8)13-10-6-3-7-11(10)14/h1-2,4-5,10-11,13-14H,3,6-7H2/t10-,11-/m0/s1
InChIKeyAIVZWMLWAYSUHL-QWRGUYRKSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
CID 93345869
trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol
CID 93345925
trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733436
trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209
2-[(2-hydroxycyclopentyl)amino]benzamide
CID 121349266
trans-(1R,2R)-2-(2-benzylanilino)cyclopentan-1-ol
CID 102732984
2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60897087
trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol
CID 102853369
trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol
CID 102730921
2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
CID 60898844

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol (CID 93345872) is trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Nc1ccccc1F.
What is the InChIKey of trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol?
The InChIKey is AIVZWMLWAYSUHL-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H14FNO/c12-8-4-1-2-5-9(8)13-10-6-3-7-11(10)14/h1-2,4-5,10-11,13-14H,3,6-7H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol?
trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol has a molecular weight of 195.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol is sourced from PubChem (CID 93345872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).