(3,3-difluoro-1-phenylbut-1-enyl)benzene

C16H14F2 — CID 174901374

IUPAC(3,3-difluoro-1-phenylbut-1-enyl)benzene
SMILESCC(F)(F)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14F2/c1-16(17,18)12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyIVDQMJSTIDWSOX-UHFFFAOYSA-N
MW244.28 g/mol
LogP4.77
Rot. Bonds3

About (3,3-difluoro-1-phenylbut-1-enyl)benzene

(3,3-difluoro-1-phenylbut-1-enyl)benzene (PubChem CID 174901374) has the molecular formula C16H14F2 and a molecular weight of 244.28 g/mol. Its IUPAC name is (3,3-difluoro-1-phenylbut-1-enyl)benzene.

Molecular Properties

Compound Name(3,3-difluoro-1-phenylbut-1-enyl)benzene
PubChem CID174901374
Molecular FormulaC16H14F2
Molecular Weight244.28 g/mol
Exact Mass244.11
IUPAC Name(3,3-difluoro-1-phenylbut-1-enyl)benzene
SMILESCC(F)(F)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14F2/c1-16(17,18)12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyIVDQMJSTIDWSOX-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-phenylbut-1-enyl)benzene?
The IUPAC name of (3,3-difluoro-1-phenylbut-1-enyl)benzene (CID 174901374) is (3,3-difluoro-1-phenylbut-1-enyl)benzene.
What is the SMILES notation for (3,3-difluoro-1-phenylbut-1-enyl)benzene?
The canonical SMILES for (3,3-difluoro-1-phenylbut-1-enyl)benzene is CC(F)(F)C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,3-difluoro-1-phenylbut-1-enyl)benzene?
The InChIKey is IVDQMJSTIDWSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2/c1-16(17,18)12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of (3,3-difluoro-1-phenylbut-1-enyl)benzene?
(3,3-difluoro-1-phenylbut-1-enyl)benzene has a molecular weight of 244.28 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-phenylbut-1-enyl)benzene is sourced from PubChem (CID 174901374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).