cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride

C6H12Cl2F3NO — CID 175891524

IUPACcis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CC[C@H](OC(F)(F)F)C1
InChIInChI=1S/C6H10F3NO.2ClH/c7-6(8,9)11-5-2-1-4(10)3-5;;/h4-5H,1-3,10H2;2*1H/t4-,5+;;/m1../s1
InChIKeyDZMYEVFUSSRRHL-CIFXRNLBSA-N
MW242.07 g/mol
LogP2.25
Rot. Bonds1

About cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride

cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride (PubChem CID 175891524) has the molecular formula C6H12Cl2F3NO and a molecular weight of 242.07 g/mol. Its IUPAC name is cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride.

Molecular Properties

Compound Namecis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride
PubChem CID175891524
Molecular FormulaC6H12Cl2F3NO
Molecular Weight242.07 g/mol
Exact Mass241.02
IUPAC Namecis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CC[C@H](OC(F)(F)F)C1
InChIInChI=1S/C6H10F3NO.2ClH/c7-6(8,9)11-5-2-1-4(10)3-5;;/h4-5H,1-3,10H2;2*1H/t4-,5+;;/m1../s1
InChIKeyDZMYEVFUSSRRHL-CIFXRNLBSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride?
The IUPAC name of cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride (CID 175891524) is cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride.
What is the SMILES notation for cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride?
The canonical SMILES for cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride is Cl.Cl.N[C@@H]1CC[C@H](OC(F)(F)F)C1.
What is the InChIKey of cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride?
The InChIKey is DZMYEVFUSSRRHL-CIFXRNLBSA-N. The full InChI is InChI=1S/C6H10F3NO.2ClH/c7-6(8,9)11-5-2-1-4(10)3-5;;/h4-5H,1-3,10H2;2*1H/t4-,5+;;/m1../s1.
What are the key properties of cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride?
cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride has a molecular weight of 242.07 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride is sourced from PubChem (CID 175891524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).