1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride

C5H9ClF5N — CID 138606782

IUPAC1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride
SMILESCl.NC(C(F)F)C(F)C(F)CF
InChIInChI=1S/C5H8F5N.ClH/c6-1-2(7)3(8)4(11)5(9)10;/h2-5H,1,11H2;1H
InChIKeyWVISSPSSKAWSDD-UHFFFAOYSA-N
MW213.58 g/mol
LogP1.65
Rot. Bonds4

About 1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride

1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride (PubChem CID 138606782) has the molecular formula C5H9ClF5N and a molecular weight of 213.58 g/mol. Its IUPAC name is 1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride.

Molecular Properties

Compound Name1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride
PubChem CID138606782
Molecular FormulaC5H9ClF5N
Molecular Weight213.58 g/mol
Exact Mass213.03
IUPAC Name1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride
SMILESCl.NC(C(F)F)C(F)C(F)CF
InChIInChI=1S/C5H8F5N.ClH/c6-1-2(7)3(8)4(11)5(9)10;/h2-5H,1,11H2;1H
InChIKeyWVISSPSSKAWSDD-UHFFFAOYSA-N
XLogP1.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.58
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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sodium;hydride;1,2,3,4,5-pentafluoropentan-1-ol
CID 175062785
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(2S)-1-fluoro-3-methoxypropan-2-amine
CID 22789989
azane;methane;1,1,2-trifluoroethane
CID 175460328
azane;1,1,2-trifluoroethane;hydroiodide
CID 175552617
potassium 2,3,4,5-tetrafluoropentane-1-sulfonate
CID 134207342
(2S)-1-fluoro-3-methylbutan-2-amine
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2,3,4-trifluorobutane-1-thiol
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Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride?
The IUPAC name of 1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride (CID 138606782) is 1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride.
What is the SMILES notation for 1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride?
The canonical SMILES for 1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride is Cl.NC(C(F)F)C(F)C(F)CF.
What is the InChIKey of 1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride?
The InChIKey is WVISSPSSKAWSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5N.ClH/c6-1-2(7)3(8)4(11)5(9)10;/h2-5H,1,11H2;1H.
What are the key properties of 1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride?
1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride has a molecular weight of 213.58 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride is sourced from PubChem (CID 138606782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).