5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine

C13H22FN — CID 166775841

IUPAC5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine
SMILESCC1=CC=C(F)C1C(C)CCC(C)(C)N
InChIInChI=1S/C13H22FN/c1-9-5-6-11(14)12(9)10(2)7-8-13(3,4)15/h5-6,10,12H,7-8,15H2,1-4H3
InChIKeyCNUDRSORAUFEHT-UHFFFAOYSA-N
MW211.32 g/mol
LogP3.57
Rot. Bonds4

About 5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine

5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine (PubChem CID 166775841) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine
PubChem CID166775841
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine
SMILESCC1=CC=C(F)C1C(C)CCC(C)(C)N
InChIInChI=1S/C13H22FN/c1-9-5-6-11(14)12(9)10(2)7-8-13(3,4)15/h5-6,10,12H,7-8,15H2,1-4H3
InChIKeyCNUDRSORAUFEHT-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine?
The IUPAC name of 5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine (CID 166775841) is 5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine.
What is the SMILES notation for 5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine?
The canonical SMILES for 5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine is CC1=CC=C(F)C1C(C)CCC(C)(C)N.
What is the InChIKey of 5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine?
The InChIKey is CNUDRSORAUFEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN/c1-9-5-6-11(14)12(9)10(2)7-8-13(3,4)15/h5-6,10,12H,7-8,15H2,1-4H3.
What are the key properties of 5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine?
5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine has a molecular weight of 211.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-methylcyclopenta-2,4-dien-1-yl)-2-methylhexan-2-amine is sourced from PubChem (CID 166775841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).