2-chloro-1-fluoro-4-(3-methoxypropyl)benzene

C10H12ClFO — CID 10910600

IUPAC2-chloro-1-fluoro-4-(3-methoxypropyl)benzene
SMILESCOCCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFO/c1-13-6-2-3-8-4-5-10(12)9(11)7-8/h4-5,7H,2-3,6H2,1H3
InChIKeySSPLJPTVJWPRPY-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.06
Rot. Bonds4

About 2-chloro-1-fluoro-4-(3-methoxypropyl)benzene

2-chloro-1-fluoro-4-(3-methoxypropyl)benzene (PubChem CID 10910600) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-(3-methoxypropyl)benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-(3-methoxypropyl)benzene
PubChem CID10910600
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name2-chloro-1-fluoro-4-(3-methoxypropyl)benzene
SMILESCOCCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFO/c1-13-6-2-3-8-4-5-10(12)9(11)7-8/h4-5,7H,2-3,6H2,1H3
InChIKeySSPLJPTVJWPRPY-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
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

m-Chlorophenethylic alcohol
CID 78856
1-Allyl-3-chloro-4-fluorobenzene
CID 2757597
3-(3-Chlorophenyl)propan-1-ol
CID 9989667
2-(2-Chloro-6-fluorophenyl)ethanol
CID 2733235
3-Chloro-4-fluorophenethyl alcohol
CID 2757559
1-Chloro-3-(2,2-dimethoxyethyl)benzene
CID 14817334
2-(3-Chlorophenyl)propan-1-ol
CID 64326493
2-(4-Chloro-2-fluorophenyl)ethanol
CID 67369720
2-Chloro-4-ethyl-1-fluorobenzene
CID 18711878
1-Chloro-3-(1-fluoroethyl)benzene
CID 84650823
5-(3-Chlorophenyl)pentan-1-ol
CID 68486230
(1-Chloro-3-methoxypropyl)benzene
CID 592345

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-(3-methoxypropyl)benzene?
The IUPAC name of 2-chloro-1-fluoro-4-(3-methoxypropyl)benzene (CID 10910600) is 2-chloro-1-fluoro-4-(3-methoxypropyl)benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-(3-methoxypropyl)benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-(3-methoxypropyl)benzene is COCCCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-(3-methoxypropyl)benzene?
The InChIKey is SSPLJPTVJWPRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-13-6-2-3-8-4-5-10(12)9(11)7-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-chloro-1-fluoro-4-(3-methoxypropyl)benzene?
2-chloro-1-fluoro-4-(3-methoxypropyl)benzene has a molecular weight of 202.66 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-(3-methoxypropyl)benzene is sourced from PubChem (CID 10910600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).