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

C5H12F2N2 — CID 119096644

IUPAC2,2-bis(fluoromethyl)propane-1,3-diamine
SMILESNCC(CN)(CF)CF
InChIInChI=1S/C5H12F2N2/c6-1-5(2-7,3-8)4-9/h1-4,8-9H2
InChIKeyHDUFVKZWDCCRKI-UHFFFAOYSA-N
MW138.16 g/mol
LogP-0.17
Rot. Bonds4

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

2,2-bis(fluoromethyl)propane-1,3-diamine (PubChem CID 119096644) has the molecular formula C5H12F2N2 and a molecular weight of 138.16 g/mol. Its IUPAC name is 2,2-bis(fluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-bis(fluoromethyl)propane-1,3-diamine
PubChem CID119096644
Molecular FormulaC5H12F2N2
Molecular Weight138.16 g/mol
Exact Mass138.10
IUPAC Name2,2-bis(fluoromethyl)propane-1,3-diamine
SMILESNCC(CN)(CF)CF
InChIInChI=1S/C5H12F2N2/c6-1-5(2-7,3-8)4-9/h1-4,8-9H2
InChIKeyHDUFVKZWDCCRKI-UHFFFAOYSA-N
XLogP-0.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(fluoromethyl)propane-1,3-diamine?
The IUPAC name of 2,2-bis(fluoromethyl)propane-1,3-diamine (CID 119096644) is 2,2-bis(fluoromethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-bis(fluoromethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-bis(fluoromethyl)propane-1,3-diamine is NCC(CN)(CF)CF.
What is the InChIKey of 2,2-bis(fluoromethyl)propane-1,3-diamine?
The InChIKey is HDUFVKZWDCCRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2/c6-1-5(2-7,3-8)4-9/h1-4,8-9H2.
What are the key properties of 2,2-bis(fluoromethyl)propane-1,3-diamine?
2,2-bis(fluoromethyl)propane-1,3-diamine has a molecular weight of 138.16 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(fluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 119096644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).