(2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride

C5H8ClF6N — CID 171222694

IUPAC(2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride
SMILESCl.N[C@@H](CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H7F6N.ClH/c6-4(7,8)2-1-3(12)5(9,10)11;/h3H,1-2,12H2;1H/t3-;/m0./s1
InChIKeyCEIRLVZERHUPSH-DFWYDOINSA-N
MW231.57 g/mol
LogP2.64
Rot. Bonds2

About (2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride

(2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride (PubChem CID 171222694) has the molecular formula C5H8ClF6N and a molecular weight of 231.57 g/mol. Its IUPAC name is (2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride
PubChem CID171222694
Molecular FormulaC5H8ClF6N
Molecular Weight231.57 g/mol
Exact Mass231.02
IUPAC Name(2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride
SMILESCl.N[C@@H](CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H7F6N.ClH/c6-4(7,8)2-1-3(12)5(9,10)11;/h3H,1-2,12H2;1H/t3-;/m0./s1
InChIKeyCEIRLVZERHUPSH-DFWYDOINSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.57
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1,1,1,5,5,5-hexafluoropentan-2-amine
CID 171203128
1,1,1,7,7,7-hexafluoroheptan-4-amine
CID 79954768
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220
(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride
CID 171203125
(5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride
CID 171203123
1,1,1-trifluorohexan-2-amine
CID 50998628
5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
CID 64564957
(2S,5R)-2,5-diamino-6,6,6-trifluorohexanoic acid
CID 39869181
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine;hydrochloride
CID 117047046
(4R)-1,1,1-trifluoroheptan-4-amine
CID 104932458
6,6,6-trifluorohex-1-en-3-amine
CID 79954606
5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
CID 64567433

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride?
The IUPAC name of (2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride (CID 171222694) is (2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride is Cl.N[C@@H](CCC(F)(F)F)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride?
The InChIKey is CEIRLVZERHUPSH-DFWYDOINSA-N. The full InChI is InChI=1S/C5H7F6N.ClH/c6-4(7,8)2-1-3(12)5(9,10)11;/h3H,1-2,12H2;1H/t3-;/m0./s1.
What are the key properties of (2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride?
(2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride has a molecular weight of 231.57 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride is sourced from PubChem (CID 171222694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).