[(1S)-2,2-difluorocyclopropyl]methanamine

C4H7F2N — CID 95241082

IUPAC[(1S)-2,2-difluorocyclopropyl]methanamine
SMILESNC[C@@H]1CC1(F)F
InChIInChI=1S/C4H7F2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2/t3-/m0/s1
InChIKeyISMZEPBEQCSYFX-VKHMYHEASA-N
MW107.10 g/mol
LogP0.60
Rot. Bonds1

About [(1S)-2,2-difluorocyclopropyl]methanamine

[(1S)-2,2-difluorocyclopropyl]methanamine (PubChem CID 95241082) has the molecular formula C4H7F2N and a molecular weight of 107.10 g/mol. Its IUPAC name is [(1S)-2,2-difluorocyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S)-2,2-difluorocyclopropyl]methanamine
PubChem CID95241082
Molecular FormulaC4H7F2N
Molecular Weight107.10 g/mol
Exact Mass107.05
IUPAC Name[(1S)-2,2-difluorocyclopropyl]methanamine
SMILESNC[C@@H]1CC1(F)F
InChIInChI=1S/C4H7F2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2/t3-/m0/s1
InChIKeyISMZEPBEQCSYFX-VKHMYHEASA-N
XLogP0.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.10
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-difluorocyclopropyl]methanamine?
The IUPAC name of [(1S)-2,2-difluorocyclopropyl]methanamine (CID 95241082) is [(1S)-2,2-difluorocyclopropyl]methanamine.
What is the SMILES notation for [(1S)-2,2-difluorocyclopropyl]methanamine?
The canonical SMILES for [(1S)-2,2-difluorocyclopropyl]methanamine is NC[C@@H]1CC1(F)F.
What is the InChIKey of [(1S)-2,2-difluorocyclopropyl]methanamine?
The InChIKey is ISMZEPBEQCSYFX-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7F2N/c5-4(6)1-3(4)2-7/h3H,1-2,7H2/t3-/m0/s1.
What are the key properties of [(1S)-2,2-difluorocyclopropyl]methanamine?
[(1S)-2,2-difluorocyclopropyl]methanamine has a molecular weight of 107.10 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-difluorocyclopropyl]methanamine is sourced from PubChem (CID 95241082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).