(3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol

C10H8F2O — CID 143810735

IUPAC(3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol
SMILESC=C(O)/C=c1/c(F)c(F)ccc1=C
InChIInChI=1S/C10H8F2O/c1-6-3-4-9(11)10(12)8(6)5-7(2)13/h3-5,13H,1-2H2/b8-5+
InChIKeyBZIGTCIKGHROCD-VMPITWQZSA-N
MW182.17 g/mol
LogP1.23
Rot. Bonds1

About (3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol

(3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol (PubChem CID 143810735) has the molecular formula C10H8F2O and a molecular weight of 182.17 g/mol. Its IUPAC name is (3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol.

Molecular Properties

Compound Name(3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol
PubChem CID143810735
Molecular FormulaC10H8F2O
Molecular Weight182.17 g/mol
Exact Mass182.05
IUPAC Name(3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol
SMILESC=C(O)/C=c1/c(F)c(F)ccc1=C
InChIInChI=1S/C10H8F2O/c1-6-3-4-9(11)10(12)8(6)5-7(2)13/h3-5,13H,1-2H2/b8-5+
InChIKeyBZIGTCIKGHROCD-VMPITWQZSA-N
XLogP1.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol?
The IUPAC name of (3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol (CID 143810735) is (3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol.
What is the SMILES notation for (3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol?
The canonical SMILES for (3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol is C=C(O)/C=c1/c(F)c(F)ccc1=C.
What is the InChIKey of (3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol?
The InChIKey is BZIGTCIKGHROCD-VMPITWQZSA-N. The full InChI is InChI=1S/C10H8F2O/c1-6-3-4-9(11)10(12)8(6)5-7(2)13/h3-5,13H,1-2H2/b8-5+.
What are the key properties of (3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol?
(3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol has a molecular weight of 182.17 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2,3-difluoro-6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-1-en-2-ol is sourced from PubChem (CID 143810735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).