[(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine

C14H22FN — CID 129108563

IUPAC[(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine
SMILESCC/C=C1\CC(C)=C(F)C(C(C)C)=C1CN
InChIInChI=1S/C14H22FN/c1-5-6-11-7-10(4)14(15)13(9(2)3)12(11)8-16/h6,9H,5,7-8,16H2,1-4H3/b11-6+
InChIKeyOIDLFLPBUCZXQA-IZZDOVSWSA-N
MW223.33 g/mol
LogP3.88
Rot. Bonds3

About [(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine

[(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 129108563) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is [(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound Name[(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine
PubChem CID129108563
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name[(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine
SMILESCC/C=C1\CC(C)=C(F)C(C(C)C)=C1CN
InChIInChI=1S/C14H22FN/c1-5-6-11-7-10(4)14(15)13(9(2)3)12(11)8-16/h6,9H,5,7-8,16H2,1-4H3/b11-6+
InChIKeyOIDLFLPBUCZXQA-IZZDOVSWSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of [(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine (CID 129108563) is [(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for [(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for [(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine is CC/C=C1\CC(C)=C(F)C(C(C)C)=C1CN.
What is the InChIKey of [(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is OIDLFLPBUCZXQA-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H22FN/c1-5-6-11-7-10(4)14(15)13(9(2)3)12(11)8-16/h6,9H,5,7-8,16H2,1-4H3/b11-6+.
What are the key properties of [(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine?
[(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 223.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 129108563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).