(E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine

C12H21F2N — CID 145011962

IUPAC(E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine
SMILESC=C(CC/C=C/C(C)(F)F)CNC(C)C
InChIInChI=1S/C12H21F2N/c1-10(2)15-9-11(3)7-5-6-8-12(4,13)14/h6,8,10,15H,3,5,7,9H2,1-2,4H3/b8-6+
InChIKeyYOGJIISHSPKQLW-SOFGYWHQSA-N
MW217.30 g/mol
LogP3.53
Rot. Bonds7

About (E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine

(E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine (PubChem CID 145011962) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is (E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine.

Molecular Properties

Compound Name(E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine
PubChem CID145011962
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name(E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine
SMILESC=C(CC/C=C/C(C)(F)F)CNC(C)C
InChIInChI=1S/C12H21F2N/c1-10(2)15-9-11(3)7-5-6-8-12(4,13)14/h6,8,10,15H,3,5,7,9H2,1-2,4H3/b8-6+
InChIKeyYOGJIISHSPKQLW-SOFGYWHQSA-N
XLogP3.53
TPSA12.03 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 ≤ 53.53
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 (E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine?
The IUPAC name of (E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine (CID 145011962) is (E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine.
What is the SMILES notation for (E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine?
The canonical SMILES for (E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine is C=C(CC/C=C/C(C)(F)F)CNC(C)C.
What is the InChIKey of (E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine?
The InChIKey is YOGJIISHSPKQLW-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H21F2N/c1-10(2)15-9-11(3)7-5-6-8-12(4,13)14/h6,8,10,15H,3,5,7,9H2,1-2,4H3/b8-6+.
What are the key properties of (E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine?
(E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine has a molecular weight of 217.30 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine is sourced from PubChem (CID 145011962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).