5,5-difluoropentane-1,4-diamine;hydrochloride

C5H13ClF2N2 — CID 22752191

IUPAC5,5-difluoropentane-1,4-diamine;hydrochloride
SMILESCl.NCCCC(N)C(F)F
InChIInChI=1S/C5H12F2N2.ClH/c6-5(7)4(9)2-1-3-8;/h4-5H,1-3,8-9H2;1H
InChIKeyQNRXHKFTCVOQIC-UHFFFAOYSA-N
MW174.62 g/mol
LogP0.74
Rot. Bonds4

About 5,5-difluoropentane-1,4-diamine;hydrochloride

5,5-difluoropentane-1,4-diamine;hydrochloride (PubChem CID 22752191) has the molecular formula C5H13ClF2N2 and a molecular weight of 174.62 g/mol. Its IUPAC name is 5,5-difluoropentane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name5,5-difluoropentane-1,4-diamine;hydrochloride
PubChem CID22752191
Molecular FormulaC5H13ClF2N2
Molecular Weight174.62 g/mol
Exact Mass174.07
IUPAC Name5,5-difluoropentane-1,4-diamine;hydrochloride
SMILESCl.NCCCC(N)C(F)F
InChIInChI=1S/C5H12F2N2.ClH/c6-5(7)4(9)2-1-3-8;/h4-5H,1-3,8-9H2;1H
InChIKeyQNRXHKFTCVOQIC-UHFFFAOYSA-N
XLogP0.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.62
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
1,1-difluorodecan-2-amine
CID 103516493
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octadecane-1,6,7,18-tetramine
CID 56630973
heptane-1,1,1,3,4,7-hexamine
CID 141412605
tridecane-1,4,7,10,13-pentamine
CID 86224803
1,1-difluoro-5-methylhexan-2-amine
CID 103759774
3-(aminomethyl)hexane-1,2,6-triamine
CID 90942747
hexane-1,4-diamine;hydrochloride
CID 118144198
octane-1,4,8-triamine
CID 18544198
4-fluoro-5,5-dimethylhexan-1-amine
CID 83855225
lithium 1,4-diaminobutane-1-sulfonate
CID 175068866

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropentane-1,4-diamine;hydrochloride?
The IUPAC name of 5,5-difluoropentane-1,4-diamine;hydrochloride (CID 22752191) is 5,5-difluoropentane-1,4-diamine;hydrochloride.
What is the SMILES notation for 5,5-difluoropentane-1,4-diamine;hydrochloride?
The canonical SMILES for 5,5-difluoropentane-1,4-diamine;hydrochloride is Cl.NCCCC(N)C(F)F.
What is the InChIKey of 5,5-difluoropentane-1,4-diamine;hydrochloride?
The InChIKey is QNRXHKFTCVOQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2.ClH/c6-5(7)4(9)2-1-3-8;/h4-5H,1-3,8-9H2;1H.
What are the key properties of 5,5-difluoropentane-1,4-diamine;hydrochloride?
5,5-difluoropentane-1,4-diamine;hydrochloride has a molecular weight of 174.62 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropentane-1,4-diamine;hydrochloride is sourced from PubChem (CID 22752191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).