(E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol

C10H17F2NO — CID 163555305

IUPAC(E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol
SMILESCC/C(C)=C/C(=C\NCC(F)F)CO
InChIInChI=1S/C10H17F2NO/c1-3-8(2)4-9(7-14)5-13-6-10(11)12/h4-5,10,13-14H,3,6-7H2,1-2H3/b8-4+,9-5+
InChIKeyFMNCDWGYNDUDDR-KBXRYBNXSA-N
MW205.25 g/mol
LogP2.07
Rot. Bonds6

About (E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol

(E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol (PubChem CID 163555305) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is (E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol.

Molecular Properties

Compound Name(E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol
PubChem CID163555305
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol
SMILESCC/C(C)=C/C(=C\NCC(F)F)CO
InChIInChI=1S/C10H17F2NO/c1-3-8(2)4-9(7-14)5-13-6-10(11)12/h4-5,10,13-14H,3,6-7H2,1-2H3/b8-4+,9-5+
InChIKeyFMNCDWGYNDUDDR-KBXRYBNXSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol?
The IUPAC name of (E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol (CID 163555305) is (E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol.
What is the SMILES notation for (E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol?
The canonical SMILES for (E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol is CC/C(C)=C/C(=C\NCC(F)F)CO.
What is the InChIKey of (E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol?
The InChIKey is FMNCDWGYNDUDDR-KBXRYBNXSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-3-8(2)4-9(7-14)5-13-6-10(11)12/h4-5,10,13-14H,3,6-7H2,1-2H3/b8-4+,9-5+.
What are the key properties of (E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol?
(E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol has a molecular weight of 205.25 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-[(2,2-difluoroethylamino)methylidene]-4-methylhex-3-en-1-ol is sourced from PubChem (CID 163555305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).