trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol

C12H14F3NO — CID 11356995

IUPACtrans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)8-4-6-9(7-5-8)16-10-2-1-3-11(10)17/h4-7,10-11,16-17H,1-3H2/t10-,11-/m1/s1
InChIKeyMNVYYOQFGMXJIE-GHMZBOCLSA-N
MW245.24 g/mol
LogP3.03
Rot. Bonds2

About trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol

trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol (PubChem CID 11356995) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol
PubChem CID11356995
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Nametrans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)8-4-6-9(7-5-8)16-10-2-1-3-11(10)17/h4-7,10-11,16-17H,1-3H2/t10-,11-/m1/s1
InChIKeyMNVYYOQFGMXJIE-GHMZBOCLSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol (CID 11356995) is trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol is O[C@@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol?
The InChIKey is MNVYYOQFGMXJIE-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)8-4-6-9(7-5-8)16-10-2-1-3-11(10)17/h4-7,10-11,16-17H,1-3H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol?
trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol has a molecular weight of 245.24 g/mol, XLogP of 3.03, 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-[4-(trifluoromethyl)anilino]cyclopentan-1-ol is sourced from PubChem (CID 11356995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).