1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene

C12H12ClF3O — CID 12056647

IUPAC1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene
SMILESCOCCC(C(F)=C(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClF3O/c1-17-7-6-10(11(14)12(15)16)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3
InChIKeyREWNHMMMGICHCR-UHFFFAOYSA-N
MW264.67 g/mol
LogP4.54
Rot. Bonds5

About 1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene

1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene (PubChem CID 12056647) has the molecular formula C12H12ClF3O and a molecular weight of 264.67 g/mol. Its IUPAC name is 1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene
PubChem CID12056647
Molecular FormulaC12H12ClF3O
Molecular Weight264.67 g/mol
Exact Mass264.05
IUPAC Name1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene
SMILESCOCCC(C(F)=C(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClF3O/c1-17-7-6-10(11(14)12(15)16)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3
InChIKeyREWNHMMMGICHCR-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene?
The IUPAC name of 1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene (CID 12056647) is 1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene.
What is the SMILES notation for 1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene?
The canonical SMILES for 1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene is COCCC(C(F)=C(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene?
The InChIKey is REWNHMMMGICHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3O/c1-17-7-6-10(11(14)12(15)16)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3.
What are the key properties of 1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene?
1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene has a molecular weight of 264.67 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1,1,2-trifluoro-5-methoxypent-1-en-3-yl)benzene is sourced from PubChem (CID 12056647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).