trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol

C12H15ClFNO — CID 107528235

IUPACtrans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H15ClFNO/c13-9-6-5-8(14)7-11(9)15-10-3-1-2-4-12(10)16/h5-7,10,12,15-16H,1-4H2/t10-,12-/m0/s1
InChIKeyYQHPQFQYYGWEPZ-JQWIXIFHSA-N
MW243.71 g/mol
LogP3.19
Rot. Bonds2

About trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol

trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol (PubChem CID 107528235) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol
PubChem CID107528235
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Nametrans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H15ClFNO/c13-9-6-5-8(14)7-11(9)15-10-3-1-2-4-12(10)16/h5-7,10,12,15-16H,1-4H2/t10-,12-/m0/s1
InChIKeyYQHPQFQYYGWEPZ-JQWIXIFHSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(2,5-dichloroanilino)cyclohexan-1-ol
CID 102730840
2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline
CID 107527174
trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol
CID 102730941
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol
CID 102732904
2-(2-bromo-5-fluoroanilino)cyclopentan-1-ol
CID 107635614
trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
CID 62359472
2-(2,3,5-trifluoroanilino)cyclohexan-1-ol
CID 55118688
trans-(1R,2R)-2-(2-chloroanilino)cyclopentan-1-ol
CID 93345869
trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209
2-(2,4-difluoroanilino)cyclobutan-1-ol
CID 126856726
2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline
CID 107908419

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol (CID 107528235) is trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Nc1cc(F)ccc1Cl.
What is the InChIKey of trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol?
The InChIKey is YQHPQFQYYGWEPZ-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-9-6-5-8(14)7-11(9)15-10-3-1-2-4-12(10)16/h5-7,10,12,15-16H,1-4H2/t10-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol?
trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol has a molecular weight of 243.71 g/mol, XLogP of 3.19, 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-chloro-5-fluoroanilino)cyclohexan-1-ol is sourced from PubChem (CID 107528235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).