(Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine

C12H21F2N — CID 135227277

IUPAC(Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine
SMILESC=CC(C/C=C\CC(C)(F)F)C(N)CC
InChIInChI=1S/C12H21F2N/c1-4-10(11(15)5-2)8-6-7-9-12(3,13)14/h4,6-7,10-11H,1,5,8-9,15H2,2-3H3/b7-6-
InChIKeyPLNMLUHLQLYLFD-SREVYHEPSA-N
MW217.30 g/mol
LogP3.52
Rot. Bonds7

About (Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine

(Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine (PubChem CID 135227277) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is (Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine.

Molecular Properties

Compound Name(Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine
PubChem CID135227277
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name(Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine
SMILESC=CC(C/C=C\CC(C)(F)F)C(N)CC
InChIInChI=1S/C12H21F2N/c1-4-10(11(15)5-2)8-6-7-9-12(3,13)14/h4,6-7,10-11H,1,5,8-9,15H2,2-3H3/b7-6-
InChIKeyPLNMLUHLQLYLFD-SREVYHEPSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine?
The IUPAC name of (Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine (CID 135227277) is (Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine.
What is the SMILES notation for (Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine?
The canonical SMILES for (Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine is C=CC(C/C=C\CC(C)(F)F)C(N)CC.
What is the InChIKey of (Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine?
The InChIKey is PLNMLUHLQLYLFD-SREVYHEPSA-N. The full InChI is InChI=1S/C12H21F2N/c1-4-10(11(15)5-2)8-6-7-9-12(3,13)14/h4,6-7,10-11H,1,5,8-9,15H2,2-3H3/b7-6-.
What are the key properties of (Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine?
(Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine has a molecular weight of 217.30 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine is sourced from PubChem (CID 135227277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).