2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride

C5H9ClF6N2 — CID 54599144

IUPAC2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride
SMILESCl.NCC(F)(F)C(F)(F)C(F)(F)CN
InChIInChI=1S/C5H8F6N2.ClH/c6-3(7,1-12)5(10,11)4(8,9)2-13;/h1-2,12-13H2;1H
InChIKeyFQZJPZCVPBCCIQ-UHFFFAOYSA-N
MW246.58 g/mol
LogP1.23
Rot. Bonds4

About 2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride

2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride (PubChem CID 54599144) has the molecular formula C5H9ClF6N2 and a molecular weight of 246.58 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride
PubChem CID54599144
Molecular FormulaC5H9ClF6N2
Molecular Weight246.58 g/mol
Exact Mass246.04
IUPAC Name2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride
SMILESCl.NCC(F)(F)C(F)(F)C(F)(F)CN
InChIInChI=1S/C5H8F6N2.ClH/c6-3(7,1-12)5(10,11)4(8,9)2-13;/h1-2,12-13H2;1H
InChIKeyFQZJPZCVPBCCIQ-UHFFFAOYSA-N
XLogP1.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.58
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,5,5,5-Nonafluoropentan-1-amine
CID 2769669
1H,1H-Undecafluorohexylamine
CID 21923864
3,3,4,4,5,5,5-Heptafluoropentan-1-amine
CID 62947884
2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediamine
CID 2779375
2,2,3,3-Tetrafluoroputrescine
CID 3080548
5,5,5-Trifluoropentan-1-amine hydrochloride
CID 138039756
3,3,4,4-Tetrafluorobutan-1-amine hydrochloride
CID 138991551
2,2-Difluorohexan-1-amine hydrochloride
CID 170915601
1,5-Pentanediamine, 2,2,3,3,4,4-hexafluoro-
CID 428189
2,2,3,3,4,4,5,5-Octafluoropentan-1-amine
CID 13308385
5,5-Difluoropentan-1-amine
CID 14407044
5,5,5-Trifluoropentan-1-amine
CID 14952374

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride?
The IUPAC name of 2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride (CID 54599144) is 2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride?
The canonical SMILES for 2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride is Cl.NCC(F)(F)C(F)(F)C(F)(F)CN.
What is the InChIKey of 2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride?
The InChIKey is FQZJPZCVPBCCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F6N2.ClH/c6-3(7,1-12)5(10,11)4(8,9)2-13;/h1-2,12-13H2;1H.
What are the key properties of 2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride?
2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride has a molecular weight of 246.58 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoropentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 54599144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).