1-chloro-2-fluoro-3-propoxybenzene

C9H10ClFO — CID 125116301

IUPAC1-chloro-2-fluoro-3-propoxybenzene
SMILESCCCOc1cccc(Cl)c1F
InChIInChI=1S/C9H10ClFO/c1-2-6-12-8-5-3-4-7(10)9(8)11/h3-5H,2,6H2,1H3
InChIKeyMNOSCERLMAHLRO-UHFFFAOYSA-N
MW188.63 g/mol
LogP3.27
Rot. Bonds3

About 1-chloro-2-fluoro-3-propoxybenzene

1-chloro-2-fluoro-3-propoxybenzene (PubChem CID 125116301) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-propoxybenzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-propoxybenzene
PubChem CID125116301
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name1-chloro-2-fluoro-3-propoxybenzene
SMILESCCCOc1cccc(Cl)c1F
InChIInChI=1S/C9H10ClFO/c1-2-6-12-8-5-3-4-7(10)9(8)11/h3-5H,2,6H2,1H3
InChIKeyMNOSCERLMAHLRO-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene
CID 116688904
3-(3-chloro-2-fluorophenoxy)-N-methylpropan-1-amine
CID 116689634
4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline
CID 116688595
N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 116690537
5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine
CID 116690269
2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol
CID 116689707
N-[2-(3-chloro-2-fluorophenoxy)ethyl]heptan-2-amine
CID 116690499
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide
CID 116690712
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
1-(3-bromo-2-propoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
CID 107943096
N-[[4-[(3-chloro-2-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 116690161

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-propoxybenzene?
The IUPAC name of 1-chloro-2-fluoro-3-propoxybenzene (CID 125116301) is 1-chloro-2-fluoro-3-propoxybenzene.
What is the SMILES notation for 1-chloro-2-fluoro-3-propoxybenzene?
The canonical SMILES for 1-chloro-2-fluoro-3-propoxybenzene is CCCOc1cccc(Cl)c1F.
What is the InChIKey of 1-chloro-2-fluoro-3-propoxybenzene?
The InChIKey is MNOSCERLMAHLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO/c1-2-6-12-8-5-3-4-7(10)9(8)11/h3-5H,2,6H2,1H3.
What are the key properties of 1-chloro-2-fluoro-3-propoxybenzene?
1-chloro-2-fluoro-3-propoxybenzene has a molecular weight of 188.63 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-propoxybenzene is sourced from PubChem (CID 125116301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).