1-cyclopropyl-1-fluoropropan-2-amine

C6H12FN — CID 105427110

IUPAC1-cyclopropyl-1-fluoropropan-2-amine
SMILESCC(N)C(F)C1CC1
InChIInChI=1S/C6H12FN/c1-4(8)6(7)5-2-3-5/h4-6H,2-3,8H2,1H3
InChIKeyYAGDBECETSTDON-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.08
Rot. Bonds2

About 1-cyclopropyl-1-fluoropropan-2-amine

1-cyclopropyl-1-fluoropropan-2-amine (PubChem CID 105427110) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 1-cyclopropyl-1-fluoropropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-fluoropropan-2-amine
PubChem CID105427110
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name1-cyclopropyl-1-fluoropropan-2-amine
SMILESCC(N)C(F)C1CC1
InChIInChI=1S/C6H12FN/c1-4(8)6(7)5-2-3-5/h4-6H,2-3,8H2,1H3
InChIKeyYAGDBECETSTDON-UHFFFAOYSA-N
XLogP1.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-fluoropropan-2-amine?
The IUPAC name of 1-cyclopropyl-1-fluoropropan-2-amine (CID 105427110) is 1-cyclopropyl-1-fluoropropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-fluoropropan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-fluoropropan-2-amine is CC(N)C(F)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-fluoropropan-2-amine?
The InChIKey is YAGDBECETSTDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-4(8)6(7)5-2-3-5/h4-6H,2-3,8H2,1H3.
What are the key properties of 1-cyclopropyl-1-fluoropropan-2-amine?
1-cyclopropyl-1-fluoropropan-2-amine has a molecular weight of 117.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-fluoropropan-2-amine is sourced from PubChem (CID 105427110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).