2-fluoropropane-1,1-diamine

C3H9FN2 — CID 22392756

IUPAC2-fluoropropane-1,1-diamine
SMILESCC(F)C(N)N
InChIInChI=1S/C3H9FN2/c1-2(4)3(5)6/h2-3H,5-6H2,1H3
InChIKeyNAEUOBJQCZSALK-UHFFFAOYSA-N
MW92.12 g/mol
LogP-0.41
Rot. Bonds1

About 2-fluoropropane-1,1-diamine

2-fluoropropane-1,1-diamine (PubChem CID 22392756) has the molecular formula C3H9FN2 and a molecular weight of 92.12 g/mol. Its IUPAC name is 2-fluoropropane-1,1-diamine.

Molecular Properties

Compound Name2-fluoropropane-1,1-diamine
PubChem CID22392756
Molecular FormulaC3H9FN2
Molecular Weight92.12 g/mol
Exact Mass92.07
IUPAC Name2-fluoropropane-1,1-diamine
SMILESCC(F)C(N)N
InChIInChI=1S/C3H9FN2/c1-2(4)3(5)6/h2-3H,5-6H2,1H3
InChIKeyNAEUOBJQCZSALK-UHFFFAOYSA-N
XLogP-0.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.12
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-Fluoropropan-1-amine
CID 10019
1,1-Propanediamine
CID 14954072
2-Fluoropropan-1-amine hydrochloride
CID 88809154
(2R)-2-fluoropropan-1-amine hydrochloride
CID 162727052
2-Fluoropropane-1,3-diamine
CID 19902646
2-Amino-4-fluoro-1-propylamine
CID 129730223
Ethane-1,1-diamine
CID 5242187
Propylamide ammonium
CID 22389665
Propane diamine hydrochloride
CID 45489853
Amine propylamine
CID 129670032
N-lithiodiaminopropane
CID 129846883
n-Propylammonium fluoride
CID 154724300

Frequently Asked Questions

What is the IUPAC name of 2-fluoropropane-1,1-diamine?
The IUPAC name of 2-fluoropropane-1,1-diamine (CID 22392756) is 2-fluoropropane-1,1-diamine.
What is the SMILES notation for 2-fluoropropane-1,1-diamine?
The canonical SMILES for 2-fluoropropane-1,1-diamine is CC(F)C(N)N.
What is the InChIKey of 2-fluoropropane-1,1-diamine?
The InChIKey is NAEUOBJQCZSALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9FN2/c1-2(4)3(5)6/h2-3H,5-6H2,1H3.
What are the key properties of 2-fluoropropane-1,1-diamine?
2-fluoropropane-1,1-diamine has a molecular weight of 92.12 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropane-1,1-diamine is sourced from PubChem (CID 22392756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).