1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene

C11H12ClFO — CID 70136526

IUPAC1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene
SMILESC=Cc1cc(OC(C)C)c(Cl)cc1F
InChIInChI=1S/C11H12ClFO/c1-4-8-5-11(14-7(2)3)9(12)6-10(8)13/h4-7H,1H2,2-3H3
InChIKeyBTNQBGMSUVEBLD-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.91
Rot. Bonds3

About 1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene

1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene (PubChem CID 70136526) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene
PubChem CID70136526
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene
SMILESC=Cc1cc(OC(C)C)c(Cl)cc1F
InChIInChI=1S/C11H12ClFO/c1-4-8-5-11(14-7(2)3)9(12)6-10(8)13/h4-7H,1H2,2-3H3
InChIKeyBTNQBGMSUVEBLD-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-fluoro-4-propan-2-yloxyaniline
CID 130516814
(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
CID 21200446
4-chloro-2-fluoro-5-propan-2-yloxybenzenediazonium
CID 11230465
2-ethenyl-4-fluoro-1-propan-2-yloxybenzene
CID 25197210
1-ethenyl-2-fluoro-4-propan-2-yloxybenzene
CID 175665867
1-chloro-2-ethenyl-4,5-difluorobenzene
CID 175575459
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene
CID 176698285
2,5-dichloro-4-propan-2-yloxyaniline
CID 84819900
1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
CID 97057561
4-chloro-2,5-di(propan-2-yloxy)phenol
CID 82267991

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene?
The IUPAC name of 1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene (CID 70136526) is 1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene.
What is the SMILES notation for 1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene?
The canonical SMILES for 1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene is C=Cc1cc(OC(C)C)c(Cl)cc1F.
What is the InChIKey of 1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene?
The InChIKey is BTNQBGMSUVEBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-4-8-5-11(14-7(2)3)9(12)6-10(8)13/h4-7H,1H2,2-3H3.
What are the key properties of 1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene?
1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene has a molecular weight of 214.67 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethenyl-5-fluoro-2-propan-2-yloxybenzene is sourced from PubChem (CID 70136526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).