(2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine

C12H21ClFN — CID 134389841

IUPAC(2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine
SMILESCC(=C/CCCC[C@H](C)N)/C(F)=C(\C)Cl
InChIInChI=1S/C12H21ClFN/c1-9(12(14)11(3)13)7-5-4-6-8-10(2)15/h7,10H,4-6,8,15H2,1-3H3/b9-7-,12-11-/t10-/m0/s1
InChIKeyRDYXEGWCKUOBHO-QYXWPZDWSA-N
MW233.76 g/mol
LogP4.28
Rot. Bonds6

About (2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine

(2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine (PubChem CID 134389841) has the molecular formula C12H21ClFN and a molecular weight of 233.76 g/mol. Its IUPAC name is (2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine.

Molecular Properties

Compound Name(2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine
PubChem CID134389841
Molecular FormulaC12H21ClFN
Molecular Weight233.76 g/mol
Exact Mass233.13
IUPAC Name(2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine
SMILESCC(=C/CCCC[C@H](C)N)/C(F)=C(\C)Cl
InChIInChI=1S/C12H21ClFN/c1-9(12(14)11(3)13)7-5-4-6-8-10(2)15/h7,10H,4-6,8,15H2,1-3H3/b9-7-,12-11-/t10-/m0/s1
InChIKeyRDYXEGWCKUOBHO-QYXWPZDWSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine?
The IUPAC name of (2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine (CID 134389841) is (2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine.
What is the SMILES notation for (2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine?
The canonical SMILES for (2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine is CC(=C/CCCC[C@H](C)N)/C(F)=C(\C)Cl.
What is the InChIKey of (2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine?
The InChIKey is RDYXEGWCKUOBHO-QYXWPZDWSA-N. The full InChI is InChI=1S/C12H21ClFN/c1-9(12(14)11(3)13)7-5-4-6-8-10(2)15/h7,10H,4-6,8,15H2,1-3H3/b9-7-,12-11-/t10-/m0/s1.
What are the key properties of (2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine?
(2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine has a molecular weight of 233.76 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7Z,9Z)-10-chloro-9-fluoro-8-methylundeca-7,9-dien-2-amine is sourced from PubChem (CID 134389841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).