2-(fluoromethyl)propane-1,3-diamine

C4H11FN2 — CID 25200998

IUPAC2-(fluoromethyl)propane-1,3-diamine
SMILESNCC(CN)CF
InChIInChI=1S/C4H11FN2/c5-1-4(2-6)3-7/h4H,1-3,6-7H2
InChIKeyMLGYPSMVMFEFLH-UHFFFAOYSA-N
MW106.14 g/mol
LogP-0.51
Rot. Bonds3

About 2-(fluoromethyl)propane-1,3-diamine

2-(fluoromethyl)propane-1,3-diamine (PubChem CID 25200998) has the molecular formula C4H11FN2 and a molecular weight of 106.14 g/mol. Its IUPAC name is 2-(fluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(fluoromethyl)propane-1,3-diamine
PubChem CID25200998
Molecular FormulaC4H11FN2
Molecular Weight106.14 g/mol
Exact Mass106.09
IUPAC Name2-(fluoromethyl)propane-1,3-diamine
SMILESNCC(CN)CF
InChIInChI=1S/C4H11FN2/c5-1-4(2-6)3-7/h4H,1-3,6-7H2
InChIKeyMLGYPSMVMFEFLH-UHFFFAOYSA-N
XLogP-0.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)propane-1,3-diamine?
The IUPAC name of 2-(fluoromethyl)propane-1,3-diamine (CID 25200998) is 2-(fluoromethyl)propane-1,3-diamine.
What is the SMILES notation for 2-(fluoromethyl)propane-1,3-diamine?
The canonical SMILES for 2-(fluoromethyl)propane-1,3-diamine is NCC(CN)CF.
What is the InChIKey of 2-(fluoromethyl)propane-1,3-diamine?
The InChIKey is MLGYPSMVMFEFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FN2/c5-1-4(2-6)3-7/h4H,1-3,6-7H2.
What are the key properties of 2-(fluoromethyl)propane-1,3-diamine?
2-(fluoromethyl)propane-1,3-diamine has a molecular weight of 106.14 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 25200998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).