(2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane

C12H19F3O — CID 164919013

IUPAC(2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane
SMILESC=C(F)/C(=C\C=C/C)C(F)(F)[C@@H](C)O.CC
InChIInChI=1S/C10H13F3O.C2H6/c1-4-5-6-9(7(2)11)10(12,13)8(3)14;1-2/h4-6,8,14H,2H2,1,3H3;1-2H3/b5-4-,9-6+;/t8-;/m1./s1
InChIKeyALDVZSGMAVKFDQ-UYYXRNOWSA-N
MW236.28 g/mol
LogP4.01
Rot. Bonds4

About (2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane

(2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane (PubChem CID 164919013) has the molecular formula C12H19F3O and a molecular weight of 236.28 g/mol. Its IUPAC name is (2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane.

Molecular Properties

Compound Name(2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane
PubChem CID164919013
Molecular FormulaC12H19F3O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name(2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane
SMILESC=C(F)/C(=C\C=C/C)C(F)(F)[C@@H](C)O.CC
InChIInChI=1S/C10H13F3O.C2H6/c1-4-5-6-9(7(2)11)10(12,13)8(3)14;1-2/h4-6,8,14H,2H2,1,3H3;1-2H3/b5-4-,9-6+;/t8-;/m1./s1
InChIKeyALDVZSGMAVKFDQ-UYYXRNOWSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane?
The IUPAC name of (2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane (CID 164919013) is (2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane.
What is the SMILES notation for (2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane?
The canonical SMILES for (2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane is C=C(F)/C(=C\C=C/C)C(F)(F)[C@@H](C)O.CC.
What is the InChIKey of (2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane?
The InChIKey is ALDVZSGMAVKFDQ-UYYXRNOWSA-N. The full InChI is InChI=1S/C10H13F3O.C2H6/c1-4-5-6-9(7(2)11)10(12,13)8(3)14;1-2/h4-6,8,14H,2H2,1,3H3;1-2H3/b5-4-,9-6+;/t8-;/m1./s1.
What are the key properties of (2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane?
(2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane has a molecular weight of 236.28 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane is sourced from PubChem (CID 164919013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).