(1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine

C5H7F2N — CID 146560911

IUPAC(1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine
SMILESC=CN[C@H]1CC1(F)F
InChIInChI=1S/C5H7F2N/c1-2-8-4-3-5(4,6)7/h2,4,8H,1,3H2/t4-/m0/s1
InChIKeyWQFBCTJCUJBILW-BYPYZUCNSA-N
MW119.11 g/mol
LogP1.13
Rot. Bonds2

About (1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine

(1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine (PubChem CID 146560911) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is (1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine
PubChem CID146560911
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC Name(1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine
SMILESC=CN[C@H]1CC1(F)F
InChIInChI=1S/C5H7F2N/c1-2-8-4-3-5(4,6)7/h2,4,8H,1,3H2/t4-/m0/s1
InChIKeyWQFBCTJCUJBILW-BYPYZUCNSA-N
XLogP1.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.11
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine?
The IUPAC name of (1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine (CID 146560911) is (1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine.
What is the SMILES notation for (1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine?
The canonical SMILES for (1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine is C=CN[C@H]1CC1(F)F.
What is the InChIKey of (1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine?
The InChIKey is WQFBCTJCUJBILW-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7F2N/c1-2-8-4-3-5(4,6)7/h2,4,8H,1,3H2/t4-/m0/s1.
What are the key properties of (1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine?
(1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine has a molecular weight of 119.11 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethenyl-2,2-difluorocyclopropan-1-amine is sourced from PubChem (CID 146560911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).