2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane

C12H16F2 — CID 145147659

IUPAC2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane
SMILESCC.CC/C=C\c1c(F)cccc1F
InChIInChI=1S/C10H10F2.C2H6/c1-2-3-5-8-9(11)6-4-7-10(8)12;1-2/h3-7H,2H2,1H3;1-2H3/b5-3-;
InChIKeyYSYAVVCIDCKFKJ-FBZPGIPVSA-N
MW198.26 g/mol
LogP4.41
Rot. Bonds2

About 2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane

2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane (PubChem CID 145147659) has the molecular formula C12H16F2 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane
PubChem CID145147659
Molecular FormulaC12H16F2
Molecular Weight198.26 g/mol
Exact Mass198.12
IUPAC Name2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane
SMILESCC.CC/C=C\c1c(F)cccc1F
InChIInChI=1S/C10H10F2.C2H6/c1-2-3-5-8-9(11)6-4-7-10(8)12;1-2/h3-7H,2H2,1H3;1-2H3/b5-3-;
InChIKeyYSYAVVCIDCKFKJ-FBZPGIPVSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane?
The IUPAC name of 2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane (CID 145147659) is 2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane.
What is the SMILES notation for 2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane?
The canonical SMILES for 2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane is CC.CC/C=C\c1c(F)cccc1F.
What is the InChIKey of 2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane?
The InChIKey is YSYAVVCIDCKFKJ-FBZPGIPVSA-N. The full InChI is InChI=1S/C10H10F2.C2H6/c1-2-3-5-8-9(11)6-4-7-10(8)12;1-2/h3-7H,2H2,1H3;1-2H3/b5-3-;.
What are the key properties of 2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane?
2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane has a molecular weight of 198.26 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane is sourced from PubChem (CID 145147659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).