N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

C10H14F3NS — CID 106427067

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)SCCNC1CC2CC=CC21
InChIInChI=1S/C10H14F3NS/c11-10(12,13)15-5-4-14-9-6-7-2-1-3-8(7)9/h1,3,7-9,14H,2,4-6H2
InChIKeyFBPNRXPKEKOBQI-UHFFFAOYSA-N
MW237.29 g/mol
LogP2.79
Rot. Bonds4

About N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 106427067) has the molecular formula C10H14F3NS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID106427067
Molecular FormulaC10H14F3NS
Molecular Weight237.29 g/mol
Exact Mass237.08
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)SCCNC1CC2CC=CC21
InChIInChI=1S/C10H14F3NS/c11-10(12,13)15-5-4-14-9-6-7-2-1-3-8(7)9/h1,3,7-9,14H,2,4-6H2
InChIKeyFBPNRXPKEKOBQI-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,2-trifluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43223299
N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 63225897
N-(4,4,4-trifluorobutan-2-yl)bicyclo[3.2.0]hept-3-en-6-amine
CID 105932187
N-(2,2,3,3-tetrafluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 106289652
N-(2,2-difluoroethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 115406101
N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 115516604
N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 115517551
N-(2-methylsulfanylethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 60663616
N-(2-methyl-3-methylsulfanylpropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 63964624
N-(3-methylsulfanylpropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 63983396
N-(thiolan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 80584018
N-(thian-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 80599872

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 106427067) is N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is FC(F)(F)SCCNC1CC2CC=CC21.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is FBPNRXPKEKOBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NS/c11-10(12,13)15-5-4-14-9-6-7-2-1-3-8(7)9/h1,3,7-9,14H,2,4-6H2.
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 237.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 106427067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).