trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol

C12H13F4NO — CID 102733436

IUPACtrans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H13F4NO/c13-8-5-4-7(12(14,15)16)6-10(8)17-9-2-1-3-11(9)18/h4-6,9,11,17-18H,1-3H2/t9-,11-/m1/s1
InChIKeyUMJYIZHXSMMMKM-MWLCHTKSSA-N
MW263.23 g/mol
LogP3.17
Rot. Bonds2

About trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol

trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol (PubChem CID 102733436) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol
PubChem CID102733436
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Nametrans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H13F4NO/c13-8-5-4-7(12(14,15)16)6-10(8)17-9-2-1-3-11(9)18/h4-6,9,11,17-18H,1-3H2/t9-,11-/m1/s1
InChIKeyUMJYIZHXSMMMKM-MWLCHTKSSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 103702887
2-[2-bromo-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 115511652
trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol
CID 93345925
trans-(1S,2S)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102732964
trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol
CID 93345872
2-[(2-hydroxycyclohexyl)amino]-5-(trifluoromethyl)benzenecarbothioamide
CID 62361318
2-[2-nitro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 22100123
trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209
trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733137
trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol
CID 102853369
trans-(1S,2S)-2-(2,5-dichloroanilino)cyclopentan-1-ol
CID 102732904

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol (CID 102733436) is trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol is O[C@@H]1CCC[C@H]1Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol?
The InChIKey is UMJYIZHXSMMMKM-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H13F4NO/c13-8-5-4-7(12(14,15)16)6-10(8)17-9-2-1-3-11(9)18/h4-6,9,11,17-18H,1-3H2/t9-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol?
trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol has a molecular weight of 263.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol is sourced from PubChem (CID 102733436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).