2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene

C10H10ClFO — CID 130693986

IUPAC2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
SMILESFc1ccc(OCC2CC2)cc1Cl
InChIInChI=1S/C10H10ClFO/c11-9-5-8(3-4-10(9)12)13-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyLLEZKJSEOZOWEN-UHFFFAOYSA-N
MW200.64 g/mol
LogP3.27
Rot. Bonds3

About 2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene

2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene (PubChem CID 130693986) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
PubChem CID130693986
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
SMILESFc1ccc(OCC2CC2)cc1Cl
InChIInChI=1S/C10H10ClFO/c11-9-5-8(3-4-10(9)12)13-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyLLEZKJSEOZOWEN-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol
CID 139623977
4-(cyclopropylmethoxy)-2-(difluoromethoxy)-1-fluorobenzene
CID 141339892
CID 19039083
CID 19039083
4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane
CID 142580919
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
CID 62598575
1-chloro-4-[2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933657
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
CID 55093016
N-[[5-[(3-chloro-4-fluorophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 63878672
3-(3-chloro-4-fluorophenoxy)propan-1-amine
CID 60729809
(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen
CID 142361370
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene?
The IUPAC name of 2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene (CID 130693986) is 2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene is Fc1ccc(OCC2CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene?
The InChIKey is LLEZKJSEOZOWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c11-9-5-8(3-4-10(9)12)13-6-7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene?
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene has a molecular weight of 200.64 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 2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene is sourced from PubChem (CID 130693986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).