3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine

C16H21ClFNO — CID 83053402

IUPAC3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine
SMILESNC1CC(Oc2c(F)cccc2Cl)C12CCCCCC2
InChIInChI=1S/C16H21ClFNO/c17-11-6-5-7-12(18)15(11)20-14-10-13(19)16(14)8-3-1-2-4-9-16/h5-7,13-14H,1-4,8-10,19H2
InChIKeyVYFBVPBBVOTQJO-UHFFFAOYSA-N
MW297.80 g/mol
LogP4.30
Rot. Bonds2

About 3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine

3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine (PubChem CID 83053402) has the molecular formula C16H21ClFNO and a molecular weight of 297.80 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine
PubChem CID83053402
Molecular FormulaC16H21ClFNO
Molecular Weight297.80 g/mol
Exact Mass297.13
IUPAC Name3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine
SMILESNC1CC(Oc2c(F)cccc2Cl)C12CCCCCC2
InChIInChI=1S/C16H21ClFNO/c17-11-6-5-7-12(18)15(11)20-14-10-13(19)16(14)8-3-1-2-4-9-16/h5-7,13-14H,1-4,8-10,19H2
InChIKeyVYFBVPBBVOTQJO-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine
CID 83135242
1-chloro-2-cyclopentyloxy-3-fluorobenzene
CID 130057769
3-chloro-1-(2-chloro-6-nitrophenoxy)spiro[3.5]nonane
CID 107719170
3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66359693
3-(4-bromo-3-fluorophenoxy)spiro[3.4]octan-1-amine
CID 66352935
3-(2-bromo-4-chlorophenoxy)spiro[3.4]octan-1-amine
CID 66357945
3-chloro-1-(2-fluoro-6-nitrophenoxy)spiro[3.4]octane
CID 104832520
2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene
CID 83053697
3-(2-iodophenoxy)spiro[3.4]octan-1-amine
CID 66358472
3-(2,3-dihydro-1H-inden-5-yloxy)spiro[3.5]nonan-1-amine
CID 66358625
3-(2-chloro-6-nitrophenoxy)spiro[3.4]octan-1-ol
CID 107719154
3-bromo-1-(2-fluoro-6-nitrophenoxy)spiro[3.4]octane
CID 104832519

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine?
The IUPAC name of 3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine (CID 83053402) is 3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine?
The canonical SMILES for 3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine is NC1CC(Oc2c(F)cccc2Cl)C12CCCCCC2.
What is the InChIKey of 3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine?
The InChIKey is VYFBVPBBVOTQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO/c17-11-6-5-7-12(18)15(11)20-14-10-13(19)16(14)8-3-1-2-4-9-16/h5-7,13-14H,1-4,8-10,19H2.
What are the key properties of 3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine?
3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine has a molecular weight of 297.80 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 83053402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).