1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene

C10H10ClFO — CID 106440271

IUPAC1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene
SMILESC/C(=C/Cl)COc1cccc(F)c1
InChIInChI=1S/C10H10ClFO/c1-8(6-11)7-13-10-4-2-3-9(12)5-10/h2-6H,7H2,1H3/b8-6-
InChIKeyOGSVHUVZUCSWRN-VURMDHGXSA-N
MW200.64 g/mol
LogP3.35
Rot. Bonds3

About 1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene

1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene (PubChem CID 106440271) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene.

Molecular Properties

Compound Name1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene
PubChem CID106440271
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene
SMILESC/C(=C/Cl)COc1cccc(F)c1
InChIInChI=1S/C10H10ClFO/c1-8(6-11)7-13-10-4-2-3-9(12)5-10/h2-6H,7H2,1H3/b8-6-
InChIKeyOGSVHUVZUCSWRN-VURMDHGXSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene?
The IUPAC name of 1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene (CID 106440271) is 1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene.
What is the SMILES notation for 1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene?
The canonical SMILES for 1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene is C/C(=C/Cl)COc1cccc(F)c1.
What is the InChIKey of 1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene?
The InChIKey is OGSVHUVZUCSWRN-VURMDHGXSA-N. The full InChI is InChI=1S/C10H10ClFO/c1-8(6-11)7-13-10-4-2-3-9(12)5-10/h2-6H,7H2,1H3/b8-6-.
What are the key properties of 1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene?
1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene has a molecular weight of 200.64 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene is sourced from PubChem (CID 106440271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).