N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine

C16H21ClFN — CID 114817207

IUPACN-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine
SMILESFc1ccc(NC2CCC3(CCCC3)CC2)cc1Cl
InChIInChI=1S/C16H21ClFN/c17-14-11-13(3-4-15(14)18)19-12-5-9-16(10-6-12)7-1-2-8-16/h3-4,11-12,19H,1-2,5-10H2
InChIKeyAVEOSEBNJQRHAO-UHFFFAOYSA-N
MW281.80 g/mol
LogP5.39
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine

N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine (PubChem CID 114817207) has the molecular formula C16H21ClFN and a molecular weight of 281.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine
PubChem CID114817207
Molecular FormulaC16H21ClFN
Molecular Weight281.80 g/mol
Exact Mass281.13
IUPAC NameN-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine
SMILESFc1ccc(NC2CCC3(CCCC3)CC2)cc1Cl
InChIInChI=1S/C16H21ClFN/c17-14-11-13(3-4-15(14)18)19-12-5-9-16(10-6-12)7-1-2-8-16/h3-4,11-12,19H,1-2,5-10H2
InChIKeyAVEOSEBNJQRHAO-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.80
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine (CID 114817207) is N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine is Fc1ccc(NC2CCC3(CCCC3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine?
The InChIKey is AVEOSEBNJQRHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN/c17-14-11-13(3-4-15(14)18)19-12-5-9-16(10-6-12)7-1-2-8-16/h3-4,11-12,19H,1-2,5-10H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine?
N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine has a molecular weight of 281.80 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).