N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine

C14H22FN — CID 167148048

IUPACN-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
SMILESC=CNC1=C(C(C)C)CC(F)C=C1C(C)C
InChIInChI=1S/C14H22FN/c1-6-16-14-12(9(2)3)7-11(15)8-13(14)10(4)5/h6-7,9-11,16H,1,8H2,2-5H3
InChIKeyYFELNYWAOYNMTP-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.95
Rot. Bonds4

About N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine

N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine (PubChem CID 167148048) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
PubChem CID167148048
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC NameN-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
SMILESC=CNC1=C(C(C)C)CC(F)C=C1C(C)C
InChIInChI=1S/C14H22FN/c1-6-16-14-12(9(2)3)7-11(15)8-13(14)10(4)5/h6-7,9-11,16H,1,8H2,2-5H3
InChIKeyYFELNYWAOYNMTP-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine (CID 167148048) is N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine is C=CNC1=C(C(C)C)CC(F)C=C1C(C)C.
What is the InChIKey of N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine?
The InChIKey is YFELNYWAOYNMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-6-16-14-12(9(2)3)7-11(15)8-13(14)10(4)5/h6-7,9-11,16H,1,8H2,2-5H3.
What are the key properties of N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine?
N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 167148048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).