trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol

C10H18F3NO — CID 167273949

IUPACtrans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol
SMILESCC(C)CN[C@@H]1CCC[C@@]1(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)6-14-8-4-3-5-9(8,15)10(11,12)13/h7-8,14-15H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyHFHSDQDLZXQNKN-BDAKNGLRSA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds3

About trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol

trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol (PubChem CID 167273949) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol
PubChem CID167273949
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Nametrans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol
SMILESCC(C)CN[C@@H]1CCC[C@@]1(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)6-14-8-4-3-5-9(8,15)10(11,12)13/h7-8,14-15H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyHFHSDQDLZXQNKN-BDAKNGLRSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol (CID 167273949) is trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol is CC(C)CN[C@@H]1CCC[C@@]1(O)C(F)(F)F.
What is the InChIKey of trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol?
The InChIKey is HFHSDQDLZXQNKN-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)6-14-8-4-3-5-9(8,15)10(11,12)13/h7-8,14-15H,3-6H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol?
trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol is sourced from PubChem (CID 167273949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).