N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine

C15H19ClFNO — CID 107365132

IUPACN-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine
SMILESFc1cc(Cl)cc(NC2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C15H19ClFNO/c16-11-7-12(17)9-14(8-11)18-13-3-6-19-15(10-13)4-1-2-5-15/h7-9,13,18H,1-6,10H2
InChIKeyZGOUVKQXNVLDSC-UHFFFAOYSA-N
MW283.77 g/mol
LogP4.38
Rot. Bonds2

About N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine

N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 107365132) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID107365132
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC NameN-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine
SMILESFc1cc(Cl)cc(NC2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C15H19ClFNO/c16-11-7-12(17)9-14(8-11)18-13-3-6-19-15(10-13)4-1-2-5-15/h7-9,13,18H,1-6,10H2
InChIKeyZGOUVKQXNVLDSC-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903806
3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline
CID 107363930
3-chloro-N-cyclopentyl-5-fluoroaniline
CID 115743691
N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898455
N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 81270688
5-chloro-2-(6-oxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 133377675
N-(3-chloro-4-methoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898004
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-thiophen-3-yl-1-oxaspiro[5.5]undecan-4-amine
CID 79903550
4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine
CID 79895626
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79901887
N-(3-bromo-4-methylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903117

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine (CID 107365132) is N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine is Fc1cc(Cl)cc(NC2CCOC3(CCCC3)C2)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is ZGOUVKQXNVLDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c16-11-7-12(17)9-14(8-11)18-13-3-6-19-15(10-13)4-1-2-5-15/h7-9,13,18H,1-6,10H2.
What are the key properties of N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine?
N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 283.77 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 107365132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).