3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane

C14H19FO — CID 177016972

IUPAC3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane
SMILESCCC(C)Cc1ccc(C2(F)COC2)cc1
InChIInChI=1S/C14H19FO/c1-3-11(2)8-12-4-6-13(7-5-12)14(15)9-16-10-14/h4-7,11H,3,8-10H2,1-2H3
InChIKeyRSAWPAHCUGEZTL-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.47
Rot. Bonds4

About 3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane

3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane (PubChem CID 177016972) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane.

Molecular Properties

Compound Name3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane
PubChem CID177016972
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane
SMILESCCC(C)Cc1ccc(C2(F)COC2)cc1
InChIInChI=1S/C14H19FO/c1-3-11(2)8-12-4-6-13(7-5-12)14(15)9-16-10-14/h4-7,11H,3,8-10H2,1-2H3
InChIKeyRSAWPAHCUGEZTL-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine
CID 46889756
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
3-ethyl-3-[2-methyl-2-[[4-(2-methylbutyl)phenyl]methoxy]butyl]oxetane
CID 126552323
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
1-ethenyl-4-(2-methylbutyl)benzene
CID 22475803
4-(3-fluorooxetan-3-yl)-N-propan-2-ylbenzamide
CID 170761926
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
[4-(2-methylbutyl)phenyl]boronic acid
CID 18754957
1-(2-methylbutyl)-4-[4-[4-(2-methylbutyl)phenyl]buta-1,3-diynyl]benzene
CID 86002723
1-[4-(2-methylbutyl)phenyl]-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
CID 151656721

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane?
The IUPAC name of 3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane (CID 177016972) is 3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane.
What is the SMILES notation for 3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane?
The canonical SMILES for 3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane is CCC(C)Cc1ccc(C2(F)COC2)cc1.
What is the InChIKey of 3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane?
The InChIKey is RSAWPAHCUGEZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-3-11(2)8-12-4-6-13(7-5-12)14(15)9-16-10-14/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane?
3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane has a molecular weight of 222.30 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[4-(2-methylbutyl)phenyl]oxetane is sourced from PubChem (CID 177016972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).