trans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride

C6H12ClF2NO — CID 130194681

IUPACtrans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride
SMILESCl.N[C@H]1CCC[C@@H]1OC(F)F
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)10-5-3-1-2-4(5)9;/h4-6H,1-3,9H2;1H/t4-,5-;/m0./s1
InChIKeyVXHLQACOJLHITG-FHAQVOQBSA-N
MW187.62 g/mol
LogP1.53
Rot. Bonds2

About trans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride

trans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride (PubChem CID 130194681) has the molecular formula C6H12ClF2NO and a molecular weight of 187.62 g/mol. Its IUPAC name is trans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride
PubChem CID130194681
Molecular FormulaC6H12ClF2NO
Molecular Weight187.62 g/mol
Exact Mass187.06
IUPAC Nametrans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride
SMILESCl.N[C@H]1CCC[C@@H]1OC(F)F
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)10-5-3-1-2-4(5)9;/h4-6H,1-3,9H2;1H/t4-,5-;/m0./s1
InChIKeyVXHLQACOJLHITG-FHAQVOQBSA-N
XLogP1.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.62
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride (CID 130194681) is trans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride is Cl.N[C@H]1CCC[C@@H]1OC(F)F.
What is the InChIKey of trans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride?
The InChIKey is VXHLQACOJLHITG-FHAQVOQBSA-N. The full InChI is InChI=1S/C6H11F2NO.ClH/c7-6(8)10-5-3-1-2-4(5)9;/h4-6H,1-3,9H2;1H/t4-,5-;/m0./s1.
What are the key properties of trans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride?
trans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride has a molecular weight of 187.62 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(difluoromethoxy)cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 130194681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).