2-(4-fluorophenyl)spiro[3.4]octan-2-amine

C14H18FN — CID 65002671

IUPAC2-(4-fluorophenyl)spiro[3.4]octan-2-amine
SMILESNC1(c2ccc(F)cc2)CC2(CCCC2)C1
InChIInChI=1S/C14H18FN/c15-12-5-3-11(4-6-12)14(16)9-13(10-14)7-1-2-8-13/h3-6H,1-2,7-10,16H2
InChIKeyQHHPORUQCFOKKL-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.33
Rot. Bonds1

About 2-(4-fluorophenyl)spiro[3.4]octan-2-amine

2-(4-fluorophenyl)spiro[3.4]octan-2-amine (PubChem CID 65002671) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)spiro[3.4]octan-2-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)spiro[3.4]octan-2-amine
PubChem CID65002671
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name2-(4-fluorophenyl)spiro[3.4]octan-2-amine
SMILESNC1(c2ccc(F)cc2)CC2(CCCC2)C1
InChIInChI=1S/C14H18FN/c15-12-5-3-11(4-6-12)14(16)9-13(10-14)7-1-2-8-13/h3-6H,1-2,7-10,16H2
InChIKeyQHHPORUQCFOKKL-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)spiro[3.4]octan-2-amine?
The IUPAC name of 2-(4-fluorophenyl)spiro[3.4]octan-2-amine (CID 65002671) is 2-(4-fluorophenyl)spiro[3.4]octan-2-amine.
What is the SMILES notation for 2-(4-fluorophenyl)spiro[3.4]octan-2-amine?
The canonical SMILES for 2-(4-fluorophenyl)spiro[3.4]octan-2-amine is NC1(c2ccc(F)cc2)CC2(CCCC2)C1.
What is the InChIKey of 2-(4-fluorophenyl)spiro[3.4]octan-2-amine?
The InChIKey is QHHPORUQCFOKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c15-12-5-3-11(4-6-12)14(16)9-13(10-14)7-1-2-8-13/h3-6H,1-2,7-10,16H2.
What are the key properties of 2-(4-fluorophenyl)spiro[3.4]octan-2-amine?
2-(4-fluorophenyl)spiro[3.4]octan-2-amine has a molecular weight of 219.30 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)spiro[3.4]octan-2-amine is sourced from PubChem (CID 65002671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).