1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene

C12H14ClFO2 — CID 62865876

IUPAC1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene
SMILESCOc1cc(F)c(C(Cl)C2CC2)cc1OC
InChIInChI=1S/C12H14ClFO2/c1-15-10-5-8(12(13)7-3-4-7)9(14)6-11(10)16-2/h5-7,12H,3-4H2,1-2H3
InChIKeySWVGBYYBAJQHQQ-UHFFFAOYSA-N
MW244.69 g/mol
LogP3.53
Rot. Bonds4

About 1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene

1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene (PubChem CID 62865876) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene
PubChem CID62865876
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene
SMILESCOc1cc(F)c(C(Cl)C2CC2)cc1OC
InChIInChI=1S/C12H14ClFO2/c1-15-10-5-8(12(13)7-3-4-7)9(14)6-11(10)16-2/h5-7,12H,3-4H2,1-2H3
InChIKeySWVGBYYBAJQHQQ-UHFFFAOYSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[chloro-(2-fluoro-4,5-dimethoxyphenyl)methyl]oxane
CID 63014038
1-bromo-5-[chloro(cyclopropyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396342
2-[chloro-(2-fluoro-4,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 63447813
3-[chloro-(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methyloxolane
CID 79763359
cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine
CID 130024487
4-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]oxane
CID 62906748
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171213992
1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
CID 55125015
(S)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171233620
[2-bromo-2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cycloheptane
CID 114458761
4-[chloro-(5-fluoro-2-methoxyphenyl)methyl]oxane
CID 55131402
2-[chloro(cyclopropyl)methyl]-1,3,5-trimethoxybenzene
CID 61086161

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene?
The IUPAC name of 1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene (CID 62865876) is 1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene.
What is the SMILES notation for 1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene?
The canonical SMILES for 1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene is COc1cc(F)c(C(Cl)C2CC2)cc1OC.
What is the InChIKey of 1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene?
The InChIKey is SWVGBYYBAJQHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c1-15-10-5-8(12(13)7-3-4-7)9(14)6-11(10)16-2/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene?
1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene has a molecular weight of 244.69 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene is sourced from PubChem (CID 62865876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).