(3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol

C11H20FNO — CID 135245737

IUPAC(3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol
SMILESCN/C(C=CC(C)F)=C(/C)C(C)(C)O
InChIInChI=1S/C11H20FNO/c1-8(12)6-7-10(13-5)9(2)11(3,4)14/h6-8,13-14H,1-5H3/b7-6?,10-9-
InChIKeyQRSGIGVZFAGAEQ-CZTAHCJSSA-N
MW201.28 g/mol
LogP2.16
Rot. Bonds4

About (3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol

(3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol (PubChem CID 135245737) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol
PubChem CID135245737
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol
SMILESCN/C(C=CC(C)F)=C(/C)C(C)(C)O
InChIInChI=1S/C11H20FNO/c1-8(12)6-7-10(13-5)9(2)11(3,4)14/h6-8,13-14H,1-5H3/b7-6?,10-9-
InChIKeyQRSGIGVZFAGAEQ-CZTAHCJSSA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.16
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 (3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol?
The IUPAC name of (3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol (CID 135245737) is (3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol.
What is the SMILES notation for (3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol?
The canonical SMILES for (3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol is CN/C(C=CC(C)F)=C(/C)C(C)(C)O.
What is the InChIKey of (3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol?
The InChIKey is QRSGIGVZFAGAEQ-CZTAHCJSSA-N. The full InChI is InChI=1S/C11H20FNO/c1-8(12)6-7-10(13-5)9(2)11(3,4)14/h6-8,13-14H,1-5H3/b7-6?,10-9-.
What are the key properties of (3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol?
(3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol has a molecular weight of 201.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol is sourced from PubChem (CID 135245737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).