(1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine

C11H18FN — CID 71472119

IUPAC(1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine
SMILESN[C@@]12C[C@@H]3C[C@@H](C[C@H](F)[C@@H](C3)C1)C2
InChIInChI=1S/C11H18FN/c12-10-3-8-1-7-2-9(10)6-11(13,4-7)5-8/h7-10H,1-6,13H2/t7-,8+,9+,10+,11-/m1/s1
InChIKeyCPALFHALTRWGAP-ORMBPQIASA-N
MW183.27 g/mol
LogP2.25
Rot. Bonds

About (1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine

(1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine (PubChem CID 71472119) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine.

Molecular Properties

Compound Name(1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine
PubChem CID71472119
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine
SMILESN[C@@]12C[C@@H]3C[C@@H](C[C@H](F)[C@@H](C3)C1)C2
InChIInChI=1S/C11H18FN/c12-10-3-8-1-7-2-9(10)6-11(13,4-7)5-8/h7-10H,1-6,13H2/t7-,8+,9+,10+,11-/m1/s1
InChIKeyCPALFHALTRWGAP-ORMBPQIASA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine?
The IUPAC name of (1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine (CID 71472119) is (1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine.
What is the SMILES notation for (1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine?
The canonical SMILES for (1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine is N[C@@]12C[C@@H]3C[C@@H](C[C@H](F)[C@@H](C3)C1)C2.
What is the InChIKey of (1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine?
The InChIKey is CPALFHALTRWGAP-ORMBPQIASA-N. The full InChI is InChI=1S/C11H18FN/c12-10-3-8-1-7-2-9(10)6-11(13,4-7)5-8/h7-10H,1-6,13H2/t7-,8+,9+,10+,11-/m1/s1.
What are the key properties of (1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine?
(1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine is sourced from PubChem (CID 71472119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).