(5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine

C9H16FN — CID 89347359

IUPAC(5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine
SMILESCCC1(F)CC2C[C@H](C1)C2N
InChIInChI=1S/C9H16FN/c1-2-9(10)4-6-3-7(5-9)8(6)11/h6-8H,2-5,11H2,1H3/t6-,7?,8?,9?/m1/s1
InChIKeyFQSZFIQECZGBHM-LJSVPSOQSA-N
MW157.23 g/mol
LogP1.86
Rot. Bonds1

About (5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine

(5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine (PubChem CID 89347359) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name(5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine
PubChem CID89347359
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine
SMILESCCC1(F)CC2C[C@H](C1)C2N
InChIInChI=1S/C9H16FN/c1-2-9(10)4-6-3-7(5-9)8(6)11/h6-8H,2-5,11H2,1H3/t6-,7?,8?,9?/m1/s1
InChIKeyFQSZFIQECZGBHM-LJSVPSOQSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine?
The IUPAC name of (5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine (CID 89347359) is (5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for (5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for (5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine is CCC1(F)CC2C[C@H](C1)C2N.
What is the InChIKey of (5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine?
The InChIKey is FQSZFIQECZGBHM-LJSVPSOQSA-N. The full InChI is InChI=1S/C9H16FN/c1-2-9(10)4-6-3-7(5-9)8(6)11/h6-8H,2-5,11H2,1H3/t6-,7?,8?,9?/m1/s1.
What are the key properties of (5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine?
(5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine has a molecular weight of 157.23 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-ethyl-3-fluorobicyclo[3.1.1]heptan-6-amine is sourced from PubChem (CID 89347359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).