2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride

C7H19Cl2FN2 — CID 122239512

IUPAC2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride
SMILESCCCCC(F)(CN)CN.Cl.Cl
InChIInChI=1S/C7H17FN2.2ClH/c1-2-3-4-7(8,5-9)6-10;;/h2-6,9-10H2,1H3;2*1H
InChIKeyPDPMMGDWCWLARE-UHFFFAOYSA-N
MW221.15 g/mol
LogP1.65
Rot. Bonds5

About 2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride

2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride (PubChem CID 122239512) has the molecular formula C7H19Cl2FN2 and a molecular weight of 221.15 g/mol. Its IUPAC name is 2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride
PubChem CID122239512
Molecular FormulaC7H19Cl2FN2
Molecular Weight221.15 g/mol
Exact Mass220.09
IUPAC Name2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride
SMILESCCCCC(F)(CN)CN.Cl.Cl
InChIInChI=1S/C7H17FN2.2ClH/c1-2-3-4-7(8,5-9)6-10;;/h2-6,9-10H2,1H3;2*1H
InChIKeyPDPMMGDWCWLARE-UHFFFAOYSA-N
XLogP1.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-butyl-6-fluoroundecane
CID 11424735
2-tert-butyl-2-fluoroheptan-1-amine
CID 112566451
5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine
CID 112567863
5,5-difluorononane
CID 21410163
2-tert-butyl-2-fluorododecan-1-amine
CID 112566450
2,2-difluorodecan-1-amine
CID 12635530
iron(3+);1,1,1-trifluoropentane
CID 161198772
2-fluoro-5,5-dimethyl-2-propylhexan-1-amine
CID 112567666
2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine
CID 122239772
2-butyl-2-ethylhexan-1-amine
CID 62725100
ethane;2-fluoro-2-methylhexane
CID 142890341
2-ethyl-2-fluoro-5-methylsulfonylpentan-1-amine
CID 112565951

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride?
The IUPAC name of 2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride (CID 122239512) is 2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride?
The canonical SMILES for 2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride is CCCCC(F)(CN)CN.Cl.Cl.
What is the InChIKey of 2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride?
The InChIKey is PDPMMGDWCWLARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17FN2.2ClH/c1-2-3-4-7(8,5-9)6-10;;/h2-6,9-10H2,1H3;2*1H.
What are the key properties of 2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride?
2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride has a molecular weight of 221.15 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-fluoropropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 122239512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).