N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine

C11H16F3N — CID 115516604

IUPACN-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)CCCNC1CC2CC=CC21
InChIInChI=1S/C11H16F3N/c12-11(13,14)5-2-6-15-10-7-8-3-1-4-9(8)10/h1,4,8-10,15H,2-3,5-7H2
InChIKeyKERRJVWXMZAUDS-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.88
Rot. Bonds4

About N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 115516604) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID115516604
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC NameN-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)CCCNC1CC2CC=CC21
InChIInChI=1S/C11H16F3N/c12-11(13,14)5-2-6-15-10-7-8-3-1-4-9(8)10/h1,4,8-10,15H,2-3,5-7H2
InChIKeyKERRJVWXMZAUDS-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.88
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-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 115516604) is N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine is FC(F)(F)CCCNC1CC2CC=CC21.
What is the InChIKey of N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is KERRJVWXMZAUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c12-11(13,14)5-2-6-15-10-7-8-3-1-4-9(8)10/h1,4,8-10,15H,2-3,5-7H2.
What are the key properties of N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 219.25 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 115516604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).