1-fluoro-2-(2-methylbutoxymethyl)benzene

C12H17FO — CID 91704394

IUPAC1-fluoro-2-(2-methylbutoxymethyl)benzene
SMILESCCC(C)COCc1ccccc1F
InChIInChI=1S/C12H17FO/c1-3-10(2)8-14-9-11-6-4-5-7-12(11)13/h4-7,10H,3,8-9H2,1-2H3
InChIKeyHCGPIAGUABBUDJ-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.39
Rot. Bonds5

About 1-fluoro-2-(2-methylbutoxymethyl)benzene

1-fluoro-2-(2-methylbutoxymethyl)benzene (PubChem CID 91704394) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-fluoro-2-(2-methylbutoxymethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(2-methylbutoxymethyl)benzene
PubChem CID91704394
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name1-fluoro-2-(2-methylbutoxymethyl)benzene
SMILESCCC(C)COCc1ccccc1F
InChIInChI=1S/C12H17FO/c1-3-10(2)8-14-9-11-6-4-5-7-12(11)13/h4-7,10H,3,8-9H2,1-2H3
InChIKeyHCGPIAGUABBUDJ-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-2-(2-methylbutoxymethyl)benzene 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-[2-(bromomethyl)butoxymethyl]-2-fluorobenzene
CID 65000075
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
1-[(2-fluorophenyl)methoxy]-N-propylbutan-2-amine
CID 63935309
1-chloro-3-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91718297
1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469296
1-fluoro-2-(3-methylbutoxymethyl)benzene
CID 91704397
2-[(2-fluorophenyl)methoxy]-1-phenylethanol
CID 63937773
N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine
CID 63937396
2-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)ethanamine
CID 63936123
1-fluoro-2-(methoxymethoxymethyl)benzene
CID 10920940
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
2,4-dichloro-1-(2-methylbutoxymethyl)benzene
CID 91723382

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-methylbutoxymethyl)benzene?
The IUPAC name of 1-fluoro-2-(2-methylbutoxymethyl)benzene (CID 91704394) is 1-fluoro-2-(2-methylbutoxymethyl)benzene.
What is the SMILES notation for 1-fluoro-2-(2-methylbutoxymethyl)benzene?
The canonical SMILES for 1-fluoro-2-(2-methylbutoxymethyl)benzene is CCC(C)COCc1ccccc1F.
What is the InChIKey of 1-fluoro-2-(2-methylbutoxymethyl)benzene?
The InChIKey is HCGPIAGUABBUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-3-10(2)8-14-9-11-6-4-5-7-12(11)13/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 1-fluoro-2-(2-methylbutoxymethyl)benzene?
1-fluoro-2-(2-methylbutoxymethyl)benzene has a molecular weight of 196.27 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-methylbutoxymethyl)benzene is sourced from PubChem (CID 91704394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).