4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine

C11H14FN — CID 165459054

IUPAC4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
SMILESCCCNC1Cc2ccc(F)cc21
InChIInChI=1S/C11H14FN/c1-2-5-13-11-6-8-3-4-9(12)7-10(8)11/h3-4,7,11,13H,2,5-6H2,1H3
InChIKeyPVRFMTOLUJSPFW-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.42
Rot. Bonds3

About 4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine

4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine (PubChem CID 165459054) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine.

Molecular Properties

Compound Name4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
PubChem CID165459054
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
SMILESCCCNC1Cc2ccc(F)cc21
InChIInChI=1S/C11H14FN/c1-2-5-13-11-6-8-3-4-9(12)7-10(8)11/h3-4,7,11,13H,2,5-6H2,1H3
InChIKeyPVRFMTOLUJSPFW-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114834283
4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105429571
6-fluoro-2-methyl-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539052
2-ethyl-6-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710775
6-fluoro-2-phenyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710740
8-fluoro-1,1-dioxo-N-propyl-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 102972259
2-(2,5-difluorophenyl)-N-propylcyclopentan-1-amine
CID 62801737
6-chloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383375
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 62124896
2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 64662839
6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383373

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
The IUPAC name of 4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine (CID 165459054) is 4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine.
What is the SMILES notation for 4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
The canonical SMILES for 4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine is CCCNC1Cc2ccc(F)cc21.
What is the InChIKey of 4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
The InChIKey is PVRFMTOLUJSPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-2-5-13-11-6-8-3-4-9(12)7-10(8)11/h3-4,7,11,13H,2,5-6H2,1H3.
What are the key properties of 4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine has a molecular weight of 179.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine is sourced from PubChem (CID 165459054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).