1-(6-cyclopropylhexoxy)-2-fluorobenzene

C15H21FO — CID 91224434

IUPAC1-(6-cyclopropylhexoxy)-2-fluorobenzene
SMILESFc1ccccc1OCCCCCCC1CC1
InChIInChI=1S/C15H21FO/c16-14-8-4-5-9-15(14)17-12-6-2-1-3-7-13-10-11-13/h4-5,8-9,13H,1-3,6-7,10-12H2
InChIKeyMLCYFYVMRPMBCX-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.57
Rot. Bonds8

About 1-(6-cyclopropylhexoxy)-2-fluorobenzene

1-(6-cyclopropylhexoxy)-2-fluorobenzene (PubChem CID 91224434) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(6-cyclopropylhexoxy)-2-fluorobenzene.

Molecular Properties

Compound Name1-(6-cyclopropylhexoxy)-2-fluorobenzene
PubChem CID91224434
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name1-(6-cyclopropylhexoxy)-2-fluorobenzene
SMILESFc1ccccc1OCCCCCCC1CC1
InChIInChI=1S/C15H21FO/c16-14-8-4-5-9-15(14)17-12-6-2-1-3-7-13-10-11-13/h4-5,8-9,13H,1-3,6-7,10-12H2
InChIKeyMLCYFYVMRPMBCX-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(6-cyclopropylhexoxy)-2-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(8-cyclopentyloctoxy)-2-nonoxybenzene
CID 173313671
N,N-dibenzyl-1-[4-[2-(2-fluorophenoxy)ethyl]cyclohexyl]methanamine
CID 58923743
2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile
CID 69357808
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane
CID 87497390
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
1-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]ethanone
CID 53150747
3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride
CID 146064557
3-(2-fluorophenoxy)propane-1-thiol
CID 79001947
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
1-[4-(2-fluorophenoxy)butyl]piperazine-1,4-diium
CID 2194718

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropylhexoxy)-2-fluorobenzene?
The IUPAC name of 1-(6-cyclopropylhexoxy)-2-fluorobenzene (CID 91224434) is 1-(6-cyclopropylhexoxy)-2-fluorobenzene.
What is the SMILES notation for 1-(6-cyclopropylhexoxy)-2-fluorobenzene?
The canonical SMILES for 1-(6-cyclopropylhexoxy)-2-fluorobenzene is Fc1ccccc1OCCCCCCC1CC1.
What is the InChIKey of 1-(6-cyclopropylhexoxy)-2-fluorobenzene?
The InChIKey is MLCYFYVMRPMBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c16-14-8-4-5-9-15(14)17-12-6-2-1-3-7-13-10-11-13/h4-5,8-9,13H,1-3,6-7,10-12H2.
What are the key properties of 1-(6-cyclopropylhexoxy)-2-fluorobenzene?
1-(6-cyclopropylhexoxy)-2-fluorobenzene has a molecular weight of 236.33 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylhexoxy)-2-fluorobenzene is sourced from PubChem (CID 91224434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).