2-[(1R)-2,2-difluorocyclopropyl]ethanamine

C5H9F2N — CID 97296634

IUPAC2-[(1R)-2,2-difluorocyclopropyl]ethanamine
SMILESNCC[C@@H]1CC1(F)F
InChIInChI=1S/C5H9F2N/c6-5(7)3-4(5)1-2-8/h4H,1-3,8H2/t4-/m1/s1
InChIKeyJFMDNCKAFKFJTR-SCSAIBSYSA-N
MW121.13 g/mol
LogP0.99
Rot. Bonds2

About 2-[(1R)-2,2-difluorocyclopropyl]ethanamine

2-[(1R)-2,2-difluorocyclopropyl]ethanamine (PubChem CID 97296634) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 2-[(1R)-2,2-difluorocyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[(1R)-2,2-difluorocyclopropyl]ethanamine
PubChem CID97296634
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name2-[(1R)-2,2-difluorocyclopropyl]ethanamine
SMILESNCC[C@@H]1CC1(F)F
InChIInChI=1S/C5H9F2N/c6-5(7)3-4(5)1-2-8/h4H,1-3,8H2/t4-/m1/s1
InChIKeyJFMDNCKAFKFJTR-SCSAIBSYSA-N
XLogP0.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,2-difluorocyclopropyl]ethanamine?
The IUPAC name of 2-[(1R)-2,2-difluorocyclopropyl]ethanamine (CID 97296634) is 2-[(1R)-2,2-difluorocyclopropyl]ethanamine.
What is the SMILES notation for 2-[(1R)-2,2-difluorocyclopropyl]ethanamine?
The canonical SMILES for 2-[(1R)-2,2-difluorocyclopropyl]ethanamine is NCC[C@@H]1CC1(F)F.
What is the InChIKey of 2-[(1R)-2,2-difluorocyclopropyl]ethanamine?
The InChIKey is JFMDNCKAFKFJTR-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9F2N/c6-5(7)3-4(5)1-2-8/h4H,1-3,8H2/t4-/m1/s1.
What are the key properties of 2-[(1R)-2,2-difluorocyclopropyl]ethanamine?
2-[(1R)-2,2-difluorocyclopropyl]ethanamine has a molecular weight of 121.13 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2-difluorocyclopropyl]ethanamine is sourced from PubChem (CID 97296634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).