1-fluoro-N-(fluoromethyl)-N-methylmethanamine

C3H7F2N — CID 140581343

IUPAC1-fluoro-N-(fluoromethyl)-N-methylmethanamine
SMILESCN(CF)CF
InChIInChI=1S/C3H7F2N/c1-6(2-4)3-5/h2-3H2,1H3
InChIKeyOJEVKRSIHBOIQN-UHFFFAOYSA-N
MW95.09 g/mol
LogP0.77
Rot. Bonds2

About 1-fluoro-N-(fluoromethyl)-N-methylmethanamine

1-fluoro-N-(fluoromethyl)-N-methylmethanamine (PubChem CID 140581343) has the molecular formula C3H7F2N and a molecular weight of 95.09 g/mol. Its IUPAC name is 1-fluoro-N-(fluoromethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-fluoro-N-(fluoromethyl)-N-methylmethanamine
PubChem CID140581343
Molecular FormulaC3H7F2N
Molecular Weight95.09 g/mol
Exact Mass95.05
IUPAC Name1-fluoro-N-(fluoromethyl)-N-methylmethanamine
SMILESCN(CF)CF
InChIInChI=1S/C3H7F2N/c1-6(2-4)3-5/h2-3H2,1H3
InChIKeyOJEVKRSIHBOIQN-UHFFFAOYSA-N
XLogP0.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.09
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-(fluoromethyl)-N-methylmethanamine?
The IUPAC name of 1-fluoro-N-(fluoromethyl)-N-methylmethanamine (CID 140581343) is 1-fluoro-N-(fluoromethyl)-N-methylmethanamine.
What is the SMILES notation for 1-fluoro-N-(fluoromethyl)-N-methylmethanamine?
The canonical SMILES for 1-fluoro-N-(fluoromethyl)-N-methylmethanamine is CN(CF)CF.
What is the InChIKey of 1-fluoro-N-(fluoromethyl)-N-methylmethanamine?
The InChIKey is OJEVKRSIHBOIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2N/c1-6(2-4)3-5/h2-3H2,1H3.
What are the key properties of 1-fluoro-N-(fluoromethyl)-N-methylmethanamine?
1-fluoro-N-(fluoromethyl)-N-methylmethanamine has a molecular weight of 95.09 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(fluoromethyl)-N-methylmethanamine is sourced from PubChem (CID 140581343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).