1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen

C10H13FO2 — CID 162436996

IUPAC1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen
SMILESCC(=O)c1ccc(OC(C)F)cc1.[H][H]
InChIInChI=1S/C10H11FO2.H2/c1-7(12)9-3-5-10(6-4-9)13-8(2)11;/h3-6,8H,1-2H3;1H
InChIKeyLAVSFQZKHXOJJN-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.83
Rot. Bonds3

About 1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen

1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen (PubChem CID 162436996) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen.

Molecular Properties

Compound Name1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen
PubChem CID162436996
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen
SMILESCC(=O)c1ccc(OC(C)F)cc1.[H][H]
InChIInChI=1S/C10H11FO2.H2/c1-7(12)9-3-5-10(6-4-9)13-8(2)11;/h3-6,8H,1-2H3;1H
InChIKeyLAVSFQZKHXOJJN-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-chloroethoxy)phenyl]ethanone
CID 21282318
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219
(4-acetylphenyl) 3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 4813382
1-(4-sulfanyloxyphenyl)ethanone
CID 87171019
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
1-(4-acetylphenyl)ethanone;methane
CID 159515104
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
(2R)-2-(4-acetylphenoxy)-2-phenylacetic acid
CID 7062308
1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone
CID 155743488

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen?
The IUPAC name of 1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen (CID 162436996) is 1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen.
What is the SMILES notation for 1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen?
The canonical SMILES for 1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen is CC(=O)c1ccc(OC(C)F)cc1.[H][H].
What is the InChIKey of 1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen?
The InChIKey is LAVSFQZKHXOJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2.H2/c1-7(12)9-3-5-10(6-4-9)13-8(2)11;/h3-6,8H,1-2H3;1H.
What are the key properties of 1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen?
1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen has a molecular weight of 184.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen is sourced from PubChem (CID 162436996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).