(1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine

C10H10FN — CID 125423823

IUPAC(1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine
SMILESN[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]12
InChIInChI=1S/C10H10FN/c11-6-1-2-7-5(3-6)4-8-9(7)10(8)12/h1-3,8-10H,4,12H2/t8-,9-,10+/m0/s1
InChIKeyGXQQKUOFTSWVRE-LPEHRKFASA-N
MW163.19 g/mol
LogP1.42
Rot. Bonds

About (1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine

(1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine (PubChem CID 125423823) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is (1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine.

Molecular Properties

Compound Name(1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine
PubChem CID125423823
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name(1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine
SMILESN[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]12
InChIInChI=1S/C10H10FN/c11-6-1-2-7-5(3-6)4-8-9(7)10(8)12/h1-3,8-10H,4,12H2/t8-,9-,10+/m0/s1
InChIKeyGXQQKUOFTSWVRE-LPEHRKFASA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine?
The IUPAC name of (1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine (CID 125423823) is (1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine.
What is the SMILES notation for (1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine?
The canonical SMILES for (1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine is N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]12.
What is the InChIKey of (1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine?
The InChIKey is GXQQKUOFTSWVRE-LPEHRKFASA-N. The full InChI is InChI=1S/C10H10FN/c11-6-1-2-7-5(3-6)4-8-9(7)10(8)12/h1-3,8-10H,4,12H2/t8-,9-,10+/m0/s1.
What are the key properties of (1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine?
(1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine has a molecular weight of 163.19 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,1aR,6aS)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine is sourced from PubChem (CID 125423823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).