N-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C14H16Cl2FNO — CID 83076218

IUPACN-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(Nc2c(Cl)cc(F)cc2Cl)C2CCOC21
InChIInChI=1S/C14H16Cl2FNO/c1-14(2)12(8-3-4-19-13(8)14)18-11-9(15)5-7(17)6-10(11)16/h5-6,8,12-13,18H,3-4H2,1-2H3
InChIKeyYZEFLHYAPKCLBP-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.36
Rot. Bonds2

About N-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

N-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 83076218) has the molecular formula C14H16Cl2FNO and a molecular weight of 304.19 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID83076218
Molecular FormulaC14H16Cl2FNO
Molecular Weight304.19 g/mol
Exact Mass303.06
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(Nc2c(Cl)cc(F)cc2Cl)C2CCOC21
InChIInChI=1S/C14H16Cl2FNO/c1-14(2)12(8-3-4-19-13(8)14)18-11-9(15)5-7(17)6-10(11)16/h5-6,8,12-13,18H,3-4H2,1-2H3
InChIKeyYZEFLHYAPKCLBP-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 64851321
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CID 64862760
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CID 64863123
CID 64863123
CID 64863141
CID 64863141
CID 64864268
CID 64864268
CID 64864459
CID 64864459
CID 64864610
CID 64864610
CID 64864653
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CID 64864850
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CID 64864866
CID 64864866

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 83076218) is N-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(Nc2c(Cl)cc(F)cc2Cl)C2CCOC21.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is YZEFLHYAPKCLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2FNO/c1-14(2)12(8-3-4-19-13(8)14)18-11-9(15)5-7(17)6-10(11)16/h5-6,8,12-13,18H,3-4H2,1-2H3.
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 304.19 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 83076218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).