trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride

C11H14ClF4N3 — CID 118308208

IUPACtrans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride
SMILESCl.N[C@H]1CCC[C@@H]1Nc1ncc(C(F)(F)F)cc1F
InChIInChI=1S/C11H13F4N3.ClH/c12-7-4-6(11(13,14)15)5-17-10(7)18-9-3-1-2-8(9)16;/h4-5,8-9H,1-3,16H2,(H,17,18);1H/t8-,9-;/m0./s1
InChIKeyGKVPDRZUWAGUBE-OZZZDHQUSA-N
MW299.70 g/mol
LogP2.95
Rot. Bonds2

About trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride

trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride (PubChem CID 118308208) has the molecular formula C11H14ClF4N3 and a molecular weight of 299.70 g/mol. Its IUPAC name is trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride
PubChem CID118308208
Molecular FormulaC11H14ClF4N3
Molecular Weight299.70 g/mol
Exact Mass299.08
IUPAC Nametrans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride
SMILESCl.N[C@H]1CCC[C@@H]1Nc1ncc(C(F)(F)F)cc1F
InChIInChI=1S/C11H13F4N3.ClH/c12-7-4-6(11(13,14)15)5-17-10(7)18-9-3-1-2-8(9)16;/h4-5,8-9H,1-3,16H2,(H,17,18);1H/t8-,9-;/m0./s1
InChIKeyGKVPDRZUWAGUBE-OZZZDHQUSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.70
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride?
The IUPAC name of trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride (CID 118308208) is trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride?
The canonical SMILES for trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride is Cl.N[C@H]1CCC[C@@H]1Nc1ncc(C(F)(F)F)cc1F.
What is the InChIKey of trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride?
The InChIKey is GKVPDRZUWAGUBE-OZZZDHQUSA-N. The full InChI is InChI=1S/C11H13F4N3.ClH/c12-7-4-6(11(13,14)15)5-17-10(7)18-9-3-1-2-8(9)16;/h4-5,8-9H,1-3,16H2,(H,17,18);1H/t8-,9-;/m0./s1.
What are the key properties of trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride?
trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride has a molecular weight of 299.70 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride is sourced from PubChem (CID 118308208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).