(Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol

C13H13FO — CID 89292335

IUPAC(Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol
SMILESC=C=c1cc(CF)cc/c1=C(O)/C=C\C
InChIInChI=1S/C13H13FO/c1-3-5-13(15)12-7-6-10(9-14)8-11(12)4-2/h3,5-8,15H,2,9H2,1H3/b5-3-,13-12+
InChIKeyUVTKIXNXDCGHJS-AGOVQIDJSA-N
MW204.24 g/mol
LogP1.96
Rot. Bonds2

About (Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol

(Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol (PubChem CID 89292335) has the molecular formula C13H13FO and a molecular weight of 204.24 g/mol. Its IUPAC name is (Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol.

Molecular Properties

Compound Name(Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol
PubChem CID89292335
Molecular FormulaC13H13FO
Molecular Weight204.24 g/mol
Exact Mass204.10
IUPAC Name(Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol
SMILESC=C=c1cc(CF)cc/c1=C(O)/C=C\C
InChIInChI=1S/C13H13FO/c1-3-5-13(15)12-7-6-10(9-14)8-11(12)4-2/h3,5-8,15H,2,9H2,1H3/b5-3-,13-12+
InChIKeyUVTKIXNXDCGHJS-AGOVQIDJSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol?
The IUPAC name of (Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol (CID 89292335) is (Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol.
What is the SMILES notation for (Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol?
The canonical SMILES for (Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol is C=C=c1cc(CF)cc/c1=C(O)/C=C\C.
What is the InChIKey of (Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol?
The InChIKey is UVTKIXNXDCGHJS-AGOVQIDJSA-N. The full InChI is InChI=1S/C13H13FO/c1-3-5-13(15)12-7-6-10(9-14)8-11(12)4-2/h3,5-8,15H,2,9H2,1H3/b5-3-,13-12+.
What are the key properties of (Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol?
(Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol has a molecular weight of 204.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol is sourced from PubChem (CID 89292335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).