3-fluoro-2-methylpropane-1,1-diamine

C4H11FN2 — CID 134422264

IUPAC3-fluoro-2-methylpropane-1,1-diamine
SMILESCC(CF)C(N)N
InChIInChI=1S/C4H11FN2/c1-3(2-5)4(6)7/h3-4H,2,6-7H2,1H3
InChIKeyMEGKUCIDXDGRTE-UHFFFAOYSA-N
MW106.14 g/mol
LogP-0.16
Rot. Bonds2

About 3-fluoro-2-methylpropane-1,1-diamine

3-fluoro-2-methylpropane-1,1-diamine (PubChem CID 134422264) has the molecular formula C4H11FN2 and a molecular weight of 106.14 g/mol. Its IUPAC name is 3-fluoro-2-methylpropane-1,1-diamine.

Molecular Properties

Compound Name3-fluoro-2-methylpropane-1,1-diamine
PubChem CID134422264
Molecular FormulaC4H11FN2
Molecular Weight106.14 g/mol
Exact Mass106.09
IUPAC Name3-fluoro-2-methylpropane-1,1-diamine
SMILESCC(CF)C(N)N
InChIInChI=1S/C4H11FN2/c1-3(2-5)4(6)7/h3-4H,2,6-7H2,1H3
InChIKeyMEGKUCIDXDGRTE-UHFFFAOYSA-N
XLogP-0.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 5-0.16
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

Monofluoromethylputrescine
CID 25200997
Diamino-2-methylpropane
CID 21872147
2-Fluoropropane-1,1-diamine
CID 22392756
1-Fluoro-2-methylpropan-1-amine
CID 57136092
1,3-Difluoro-2-methylpropan-1-amine
CID 57262947
3-Fluoro-2-methylpropan-1-amine
CID 57590630
(2S)-3,3,3-trifluoro-2-methylpropane-1,1-diamine;hydrochloride
CID 175563958
(2R)-3,3,3-trifluoro-2-methylpropane-1,1-diamine;hydrochloride
CID 175563967
3,3,3-Trifluoro-2-methylpropane-1,1-diamine;dihydrochloride
CID 175563996
2-(Fluoromethyl)propane-1,3-diamine
CID 25200998
(2S)-3-fluoro-2-methylpropan-1-amine
CID 137938161
(2R)-3-fluoro-2-methylpropan-1-amine
CID 137940857

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylpropane-1,1-diamine?
The IUPAC name of 3-fluoro-2-methylpropane-1,1-diamine (CID 134422264) is 3-fluoro-2-methylpropane-1,1-diamine.
What is the SMILES notation for 3-fluoro-2-methylpropane-1,1-diamine?
The canonical SMILES for 3-fluoro-2-methylpropane-1,1-diamine is CC(CF)C(N)N.
What is the InChIKey of 3-fluoro-2-methylpropane-1,1-diamine?
The InChIKey is MEGKUCIDXDGRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FN2/c1-3(2-5)4(6)7/h3-4H,2,6-7H2,1H3.
What are the key properties of 3-fluoro-2-methylpropane-1,1-diamine?
3-fluoro-2-methylpropane-1,1-diamine has a molecular weight of 106.14 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylpropane-1,1-diamine is sourced from PubChem (CID 134422264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).