(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene

C18H14F2 — CID 53441080

IUPAC(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
SMILESFC(C=Cc1ccccc1)=C(F)C=Cc1ccccc1
InChIInChI=1S/C18H14F2/c19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16/h1-14H
InChIKeyDNSFOKNRMZZHRG-UHFFFAOYSA-N
MW268.31 g/mol
LogP5.56
Rot. Bonds4

About (3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene

(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene (PubChem CID 53441080) has the molecular formula C18H14F2 and a molecular weight of 268.31 g/mol. Its IUPAC name is (3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene.

Molecular Properties

Compound Name(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
PubChem CID53441080
Molecular FormulaC18H14F2
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
SMILESFC(C=Cc1ccccc1)=C(F)C=Cc1ccccc1
InChIInChI=1S/C18H14F2/c19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16/h1-14H
InChIKeyDNSFOKNRMZZHRG-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.31
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4,4-trifluorobuta-1,3-dienylbenzene
CID 54356019
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
2-fluoroethenylbenzene;silane
CID 158885758
1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene
CID 54123329
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345

Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene?
The IUPAC name of (3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene (CID 53441080) is (3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene.
What is the SMILES notation for (3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene?
The canonical SMILES for (3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene is FC(C=Cc1ccccc1)=C(F)C=Cc1ccccc1.
What is the InChIKey of (3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene?
The InChIKey is DNSFOKNRMZZHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2/c19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16/h1-14H.
What are the key properties of (3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene?
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene has a molecular weight of 268.31 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene is sourced from PubChem (CID 53441080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).