1-chloro-3-fluoro-5-pentan-3-yloxybenzene

C11H14ClFO — CID 166779713

IUPAC1-chloro-3-fluoro-5-pentan-3-yloxybenzene
SMILESCCC(CC)Oc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H14ClFO/c1-3-10(4-2)14-11-6-8(12)5-9(13)7-11/h5-7,10H,3-4H2,1-2H3
InChIKeySKTZGXZABYGCHF-UHFFFAOYSA-N
MW216.68 g/mol
LogP4.05
Rot. Bonds4

About 1-chloro-3-fluoro-5-pentan-3-yloxybenzene

1-chloro-3-fluoro-5-pentan-3-yloxybenzene (PubChem CID 166779713) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 1-chloro-3-fluoro-5-pentan-3-yloxybenzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-5-pentan-3-yloxybenzene
PubChem CID166779713
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name1-chloro-3-fluoro-5-pentan-3-yloxybenzene
SMILESCCC(CC)Oc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H14ClFO/c1-3-10(4-2)14-11-6-8(12)5-9(13)7-11/h5-7,10H,3-4H2,1-2H3
InChIKeySKTZGXZABYGCHF-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-3-fluoro-5-pentan-3-yloxybenzene 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

2-chloro-1-fluoro-4-pentan-3-yloxybenzene
CID 166779725
2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
CID 62485923
N-tert-butyl-2-(3,5-dichlorophenoxy)butan-1-amine
CID 63498433
O-(3-chloro-5-fluorophenyl)hydroxylamine
CID 162421873
1-chloro-4-(1-chlorobutan-2-yloxy)benzene
CID 70462784
[(2S,3S)-3-(3-chloro-5-fluorophenoxy)-4-ethylhexan-2-yl] (2S)-2-amino-4-methylpentanoate
CID 121465897
[(2S,3R)-3-(3-chloro-5-fluorophenoxy)butan-2-yl] (2S)-2-aminopropanoate;hydrochloride
CID 162307370
1-chloro-3,5-difluorobenzene
CID 159732874
methyl (E)-4-[2-(3-chloro-5-fluorophenoxy)butanoylamino]-4-methylpent-2-enoate
CID 178117837
2-chloro-1-(3-chloro-5-fluorophenyl)butan-1-one
CID 130820578
1,3-di(pentan-3-yloxy)benzene
CID 91386050
1-(3-chloro-5-fluorophenyl)propan-1-one;ethane
CID 162236083

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-5-pentan-3-yloxybenzene?
The IUPAC name of 1-chloro-3-fluoro-5-pentan-3-yloxybenzene (CID 166779713) is 1-chloro-3-fluoro-5-pentan-3-yloxybenzene.
What is the SMILES notation for 1-chloro-3-fluoro-5-pentan-3-yloxybenzene?
The canonical SMILES for 1-chloro-3-fluoro-5-pentan-3-yloxybenzene is CCC(CC)Oc1cc(F)cc(Cl)c1.
What is the InChIKey of 1-chloro-3-fluoro-5-pentan-3-yloxybenzene?
The InChIKey is SKTZGXZABYGCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-3-10(4-2)14-11-6-8(12)5-9(13)7-11/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 1-chloro-3-fluoro-5-pentan-3-yloxybenzene?
1-chloro-3-fluoro-5-pentan-3-yloxybenzene has a molecular weight of 216.68 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-5-pentan-3-yloxybenzene is sourced from PubChem (CID 166779713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).