2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine

C7H13F2N — CID 87792781

IUPAC2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine
SMILESCC1C[C@H]1CNCC(F)F
InChIInChI=1S/C7H13F2N/c1-5-2-6(5)3-10-4-7(8)9/h5-7,10H,2-4H2,1H3/t5?,6-/m0/s1
InChIKeyMYKUWCFYLOANEJ-GDVGLLTNSA-N
MW149.18 g/mol
LogP1.50
Rot. Bonds4

About 2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine

2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine (PubChem CID 87792781) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine
PubChem CID87792781
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine
SMILESCC1C[C@H]1CNCC(F)F
InChIInChI=1S/C7H13F2N/c1-5-2-6(5)3-10-4-7(8)9/h5-7,10H,2-4H2,1H3/t5?,6-/m0/s1
InChIKeyMYKUWCFYLOANEJ-GDVGLLTNSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine (CID 87792781) is 2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine is CC1C[C@H]1CNCC(F)F.
What is the InChIKey of 2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine?
The InChIKey is MYKUWCFYLOANEJ-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H13F2N/c1-5-2-6(5)3-10-4-7(8)9/h5-7,10H,2-4H2,1H3/t5?,6-/m0/s1.
What are the key properties of 2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine?
2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine has a molecular weight of 149.18 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[(1R)-2-methylcyclopropyl]methyl]ethanamine is sourced from PubChem (CID 87792781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).