[(1S)-1-(4-fluorophenyl)ethyl] acetate

C10H11FO2 — CID 11194691

IUPAC[(1S)-1-(4-fluorophenyl)ethyl] acetate
SMILESCC(=O)O[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C10H11FO2/c1-7(13-8(2)12)9-3-5-10(11)6-4-9/h3-7H,1-2H3/t7-/m0/s1
InChIKeyHPRCHGOIZZMEMQ-ZETCQYMHSA-N
MW182.19 g/mol
LogP2.45
Rot. Bonds2

About [(1S)-1-(4-fluorophenyl)ethyl] acetate

[(1S)-1-(4-fluorophenyl)ethyl] acetate (PubChem CID 11194691) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is [(1S)-1-(4-fluorophenyl)ethyl] acetate.

Molecular Properties

Compound Name[(1S)-1-(4-fluorophenyl)ethyl] acetate
PubChem CID11194691
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name[(1S)-1-(4-fluorophenyl)ethyl] acetate
SMILESCC(=O)O[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C10H11FO2/c1-7(13-8(2)12)9-3-5-10(11)6-4-9/h3-7H,1-2H3/t7-/m0/s1
InChIKeyHPRCHGOIZZMEMQ-ZETCQYMHSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1R)-1-(4-bromophenyl)ethyl] acetate
CID 11770642
[(1R)-1-(4-acetylphenyl)ethyl] acetate
CID 71348999
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
4-(1-acetyloxyethyl)benzoic acid
CID 57306237
[(1R)-1-[4-[4-[(1S)-1-hydroxyethyl]phenyl]phenyl]ethyl] acetate
CID 10334074
1-(4-methylsulfonylphenyl)ethyl acetate
CID 174500289
1-(4-fluorophenyl)ethyl 2-methylbutanoate
CID 174934035
1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]ethyl acetate
CID 87975646
1-(4-fluorophenyl)ethyl 2-diazoacetate
CID 175314451
1-[4-(4-methoxyphenyl)phenyl]ethyl acetate
CID 14297718
1-(2,4-difluorophenyl)ethyl acetate
CID 141098399

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-fluorophenyl)ethyl] acetate?
The IUPAC name of [(1S)-1-(4-fluorophenyl)ethyl] acetate (CID 11194691) is [(1S)-1-(4-fluorophenyl)ethyl] acetate.
What is the SMILES notation for [(1S)-1-(4-fluorophenyl)ethyl] acetate?
The canonical SMILES for [(1S)-1-(4-fluorophenyl)ethyl] acetate is CC(=O)O[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of [(1S)-1-(4-fluorophenyl)ethyl] acetate?
The InChIKey is HPRCHGOIZZMEMQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11FO2/c1-7(13-8(2)12)9-3-5-10(11)6-4-9/h3-7H,1-2H3/t7-/m0/s1.
What are the key properties of [(1S)-1-(4-fluorophenyl)ethyl] acetate?
[(1S)-1-(4-fluorophenyl)ethyl] acetate has a molecular weight of 182.19 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-fluorophenyl)ethyl] acetate is sourced from PubChem (CID 11194691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).