N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine

C12H18F3N — CID 115517551

IUPACN-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)CCCCNC1CC2CC=CC21
InChIInChI=1S/C12H18F3N/c13-12(14,15)6-1-2-7-16-11-8-9-4-3-5-10(9)11/h3,5,9-11,16H,1-2,4,6-8H2
InChIKeyHMGSRKKHRJFYHM-UHFFFAOYSA-N
MW233.28 g/mol
LogP3.27
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 115517551) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID115517551
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC NameN-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)CCCCNC1CC2CC=CC21
InChIInChI=1S/C12H18F3N/c13-12(14,15)6-1-2-7-16-11-8-9-4-3-5-10(9)11/h3,5,9-11,16H,1-2,4,6-8H2
InChIKeyHMGSRKKHRJFYHM-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(cyclohex-3-en-1-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434394
N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434484
N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434610
N-[4-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43788016
N-[2-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43788062
N-[3-(trifluoromethyl)cyclohexyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43791401
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 60856330
N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 63225897
N-[2-(2,2,2-trifluoroethoxy)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 63827136
N-[2-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-amine
CID 65700467
N-[3-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-amine
CID 65700864

Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 115517551) is N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine is FC(F)(F)CCCCNC1CC2CC=CC21.
What is the InChIKey of N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is HMGSRKKHRJFYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N/c13-12(14,15)6-1-2-7-16-11-8-9-4-3-5-10(9)11/h3,5,9-11,16H,1-2,4,6-8H2.
What are the key properties of N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 233.28 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 115517551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).