1-fluoro-3-(1-phenylethyl)benzene

C14H13F — CID 604001

IUPAC1-fluoro-3-(1-phenylethyl)benzene
SMILESCC(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C14H13F/c1-11(12-6-3-2-4-7-12)13-8-5-9-14(15)10-13/h2-11H,1H3
InChIKeyDDKOINDWWCHBRG-UHFFFAOYSA-N
MW200.26 g/mol
LogP3.98
Rot. Bonds2

About 1-fluoro-3-(1-phenylethyl)benzene

1-fluoro-3-(1-phenylethyl)benzene (PubChem CID 604001) has the molecular formula C14H13F and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-fluoro-3-(1-phenylethyl)benzene.

Molecular Properties

Compound Name1-fluoro-3-(1-phenylethyl)benzene
PubChem CID604001
Molecular FormulaC14H13F
Molecular Weight200.26 g/mol
Exact Mass200.10
IUPAC Name1-fluoro-3-(1-phenylethyl)benzene
SMILESCC(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C14H13F/c1-11(12-6-3-2-4-7-12)13-8-5-9-14(15)10-13/h2-11H,1H3
InChIKeyDDKOINDWWCHBRG-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(1-phenylethyl)benzene?
The IUPAC name of 1-fluoro-3-(1-phenylethyl)benzene (CID 604001) is 1-fluoro-3-(1-phenylethyl)benzene.
What is the SMILES notation for 1-fluoro-3-(1-phenylethyl)benzene?
The canonical SMILES for 1-fluoro-3-(1-phenylethyl)benzene is CC(c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-(1-phenylethyl)benzene?
The InChIKey is DDKOINDWWCHBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F/c1-11(12-6-3-2-4-7-12)13-8-5-9-14(15)10-13/h2-11H,1H3.
What are the key properties of 1-fluoro-3-(1-phenylethyl)benzene?
1-fluoro-3-(1-phenylethyl)benzene has a molecular weight of 200.26 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(1-phenylethyl)benzene is sourced from PubChem (CID 604001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).