2-fluoroethylbenzene;hydrate

C8H11FO — CID 174885583

IUPAC2-fluoroethylbenzene;hydrate
SMILESFCCc1ccccc1.O
InChIInChI=1S/C8H9F.H2O/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;1H2
InChIKeyPNDQQEWKAYTVLM-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.37
Rot. Bonds2

About 2-fluoroethylbenzene;hydrate

2-fluoroethylbenzene;hydrate (PubChem CID 174885583) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 2-fluoroethylbenzene;hydrate.

Molecular Properties

Compound Name2-fluoroethylbenzene;hydrate
PubChem CID174885583
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name2-fluoroethylbenzene;hydrate
SMILESFCCc1ccccc1.O
InChIInChI=1S/C8H9F.H2O/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;1H2
InChIKeyPNDQQEWKAYTVLM-UHFFFAOYSA-N
XLogP1.37
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
hafnium;2-phenylethylbenzene
CID 173109801
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
4-phenylbutylbenzene
CID 141301927
difluoromethane;phenylmethanamine
CID 156875485
azane;2-phenylethanamine
CID 23506485
2-(3-fluoropropoxy)ethylbenzene
CID 177433926
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322
methane;4-phenylbutylbenzene
CID 173386802
ethane;methane;2-phenylethylbenzene
CID 158652330
CID 159131095
CID 159131095

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethylbenzene;hydrate?
The IUPAC name of 2-fluoroethylbenzene;hydrate (CID 174885583) is 2-fluoroethylbenzene;hydrate.
What is the SMILES notation for 2-fluoroethylbenzene;hydrate?
The canonical SMILES for 2-fluoroethylbenzene;hydrate is FCCc1ccccc1.O.
What is the InChIKey of 2-fluoroethylbenzene;hydrate?
The InChIKey is PNDQQEWKAYTVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.H2O/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;1H2.
What are the key properties of 2-fluoroethylbenzene;hydrate?
2-fluoroethylbenzene;hydrate has a molecular weight of 142.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethylbenzene;hydrate is sourced from PubChem (CID 174885583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).