N-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine

C15H21F4N — CID 163396106

IUPACN-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine
SMILESC=CNC(=C)CCCCC1=CC1CC(F)(F)C(C)(F)F
InChIInChI=1S/C15H21F4N/c1-4-20-11(2)7-5-6-8-12-9-13(12)10-15(18,19)14(3,16)17/h4,9,13,20H,1-2,5-8,10H2,3H3
InChIKeyUDNMMBWCQRBHFD-UHFFFAOYSA-N
MW291.33 g/mol
LogP5.03
Rot. Bonds10

About N-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine

N-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine (PubChem CID 163396106) has the molecular formula C15H21F4N and a molecular weight of 291.33 g/mol. Its IUPAC name is N-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine.

Molecular Properties

Compound NameN-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine
PubChem CID163396106
Molecular FormulaC15H21F4N
Molecular Weight291.33 g/mol
Exact Mass291.16
IUPAC NameN-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine
SMILESC=CNC(=C)CCCCC1=CC1CC(F)(F)C(C)(F)F
InChIInChI=1S/C15H21F4N/c1-4-20-11(2)7-5-6-8-12-9-13(12)10-15(18,19)14(3,16)17/h4,9,13,20H,1-2,5-8,10H2,3H3
InChIKeyUDNMMBWCQRBHFD-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.33
LogP ≤ 55.03
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine?
The IUPAC name of N-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine (CID 163396106) is N-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine.
What is the SMILES notation for N-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine?
The canonical SMILES for N-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine is C=CNC(=C)CCCCC1=CC1CC(F)(F)C(C)(F)F.
What is the InChIKey of N-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine?
The InChIKey is UDNMMBWCQRBHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4N/c1-4-20-11(2)7-5-6-8-12-9-13(12)10-15(18,19)14(3,16)17/h4,9,13,20H,1-2,5-8,10H2,3H3.
What are the key properties of N-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine?
N-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine has a molecular weight of 291.33 g/mol, XLogP of 5.03, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-6-[3-(2,2,3,3-tetrafluorobutyl)cyclopropen-1-yl]hex-1-en-2-amine is sourced from PubChem (CID 163396106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).