1-chloro-3-fluoro-2-(propoxymethyl)benzene

C10H12ClFO — CID 91718295

IUPAC1-chloro-3-fluoro-2-(propoxymethyl)benzene
SMILESCCCOCc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFO/c1-2-6-13-7-8-9(11)4-3-5-10(8)12/h3-5H,2,6-7H2,1H3
InChIKeyDLEVXSPYPYYBBQ-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.41
Rot. Bonds4

About 1-chloro-3-fluoro-2-(propoxymethyl)benzene

1-chloro-3-fluoro-2-(propoxymethyl)benzene (PubChem CID 91718295) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-(propoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-(propoxymethyl)benzene
PubChem CID91718295
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name1-chloro-3-fluoro-2-(propoxymethyl)benzene
SMILESCCCOCc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFO/c1-2-6-13-7-8-9(11)4-3-5-10(8)12/h3-5H,2,6-7H2,1H3
InChIKeyDLEVXSPYPYYBBQ-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ether, bis(2,6-dichlorobenzyl)
CID 52735
((3-Chloropropoxy)methyl)benzene
CID 221505
Benzenemethanol, 4-chloro-, 1-acetate
CID 79407
Bis(p-chlorobenzyl) ether
CID 41869
Benzene, 1-chloro-4-((2-propyn-1-yloxy)methyl)-
CID 10559300
Benzoic acid, p-chlorothio-, O-ethyl ester
CID 84101
2-Chloro-6-fluorobenzyl alcohol
CID 91868
4-Chlorobenzaldehyde dimethyl acetal
CID 520661
2-(2-Chlorophenyl)oxirane
CID 560709
(2-Chloro-5-fluorophenyl)methanol
CID 2773605
(2R)-2-(2-chlorophenyl)oxirane
CID 12035191
(2S)-2-(2-chlorophenyl)oxirane
CID 12561900

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-(propoxymethyl)benzene?
The IUPAC name of 1-chloro-3-fluoro-2-(propoxymethyl)benzene (CID 91718295) is 1-chloro-3-fluoro-2-(propoxymethyl)benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-(propoxymethyl)benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-(propoxymethyl)benzene is CCCOCc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-3-fluoro-2-(propoxymethyl)benzene?
The InChIKey is DLEVXSPYPYYBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-2-6-13-7-8-9(11)4-3-5-10(8)12/h3-5H,2,6-7H2,1H3.
What are the key properties of 1-chloro-3-fluoro-2-(propoxymethyl)benzene?
1-chloro-3-fluoro-2-(propoxymethyl)benzene has a molecular weight of 202.66 g/mol, XLogP of 3.41, 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-2-(propoxymethyl)benzene is sourced from PubChem (CID 91718295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).