(Z)-3-fluoro-4-methylidenenon-2-en-2-amine

C10H18FN — CID 130341238

IUPAC(Z)-3-fluoro-4-methylidenenon-2-en-2-amine
SMILESC=C(CCCCC)/C(F)=C(\C)N
InChIInChI=1S/C10H18FN/c1-4-5-6-7-8(2)10(11)9(3)12/h2,4-7,12H2,1,3H3/b10-9-
InChIKeyXMPYUTFSODRIDM-KTKRTIGZSA-N
MW171.26 g/mol
LogP3.28
Rot. Bonds5

About (Z)-3-fluoro-4-methylidenenon-2-en-2-amine

(Z)-3-fluoro-4-methylidenenon-2-en-2-amine (PubChem CID 130341238) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (Z)-3-fluoro-4-methylidenenon-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-methylidenenon-2-en-2-amine
PubChem CID130341238
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(Z)-3-fluoro-4-methylidenenon-2-en-2-amine
SMILESC=C(CCCCC)/C(F)=C(\C)N
InChIInChI=1S/C10H18FN/c1-4-5-6-7-8(2)10(11)9(3)12/h2,4-7,12H2,1,3H3/b10-9-
InChIKeyXMPYUTFSODRIDM-KTKRTIGZSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 53.28
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 (Z)-3-fluoro-4-methylidenenon-2-en-2-amine?
The IUPAC name of (Z)-3-fluoro-4-methylidenenon-2-en-2-amine (CID 130341238) is (Z)-3-fluoro-4-methylidenenon-2-en-2-amine.
What is the SMILES notation for (Z)-3-fluoro-4-methylidenenon-2-en-2-amine?
The canonical SMILES for (Z)-3-fluoro-4-methylidenenon-2-en-2-amine is C=C(CCCCC)/C(F)=C(\C)N.
What is the InChIKey of (Z)-3-fluoro-4-methylidenenon-2-en-2-amine?
The InChIKey is XMPYUTFSODRIDM-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-5-6-7-8(2)10(11)9(3)12/h2,4-7,12H2,1,3H3/b10-9-.
What are the key properties of (Z)-3-fluoro-4-methylidenenon-2-en-2-amine?
(Z)-3-fluoro-4-methylidenenon-2-en-2-amine has a molecular weight of 171.26 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-4-methylidenenon-2-en-2-amine is sourced from PubChem (CID 130341238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).