N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine

C13H13ClFN — CID 43772895

IUPACN-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESFc1c(Cl)cccc1NC1CC2CC=CC21
InChIInChI=1S/C13H13ClFN/c14-10-5-2-6-11(13(10)15)16-12-7-8-3-1-4-9(8)12/h1-2,4-6,8-9,12,16H,3,7H2
InChIKeyAXDYGYYSZQHOHP-UHFFFAOYSA-N
MW237.70 g/mol
LogP3.86
Rot. Bonds2

About N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43772895) has the molecular formula C13H13ClFN and a molecular weight of 237.70 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43772895
Molecular FormulaC13H13ClFN
Molecular Weight237.70 g/mol
Exact Mass237.07
IUPAC NameN-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESFc1c(Cl)cccc1NC1CC2CC=CC21
InChIInChI=1S/C13H13ClFN/c14-10-5-2-6-11(13(10)15)16-12-7-8-3-1-4-9(8)12/h1-2,4-6,8-9,12,16H,3,7H2
InChIKeyAXDYGYYSZQHOHP-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.70
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-chloro-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43789856
N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43764534
N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43762853
3-chloro-N-cyclohexyl-2-fluoroaniline
CID 28968819
3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline
CID 64774574
N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 65437109
5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide
CID 43784525
4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 106593601
N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 63456328
N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 114838394
N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81371686
3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43634997

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43772895) is N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine is Fc1c(Cl)cccc1NC1CC2CC=CC21.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is AXDYGYYSZQHOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN/c14-10-5-2-6-11(13(10)15)16-12-7-8-3-1-4-9(8)12/h1-2,4-6,8-9,12,16H,3,7H2.
What are the key properties of N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 237.70 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43772895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).