N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine

C14H17ClFNO2 — CID 79895150

IUPACN-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESFc1cc(NC2CCOC3(CCOC3)C2)ccc1Cl
InChIInChI=1S/C14H17ClFNO2/c15-12-2-1-10(7-13(12)16)17-11-3-5-19-14(8-11)4-6-18-9-14/h1-2,7,11,17H,3-6,8-9H2
InChIKeyBTQFLKRRXJHWCZ-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.23
Rot. Bonds2

About N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79895150) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79895150
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC NameN-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESFc1cc(NC2CCOC3(CCOC3)C2)ccc1Cl
InChIInChI=1S/C14H17ClFNO2/c15-12-2-1-10(7-13(12)16)17-11-3-5-19-14(8-11)4-6-18-9-14/h1-2,7,11,17H,3-6,8-9H2
InChIKeyBTQFLKRRXJHWCZ-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903956
N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897441
N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79902131
N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 107611321
N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 107634963
N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898115
N-(4-chloro-3-fluorophenyl)oxetan-3-amine
CID 63623661
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 79897939
N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894794
N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895167
N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79901878
N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904002

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79895150) is N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine is Fc1cc(NC2CCOC3(CCOC3)C2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is BTQFLKRRXJHWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-12-2-1-10(7-13(12)16)17-11-3-5-19-14(8-11)4-6-18-9-14/h1-2,7,11,17H,3-6,8-9H2.
What are the key properties of N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 285.75 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).