2-[(2-fluorophenyl)methyl]oxane

C12H15FO — CID 20724373

IUPAC2-[(2-fluorophenyl)methyl]oxane
SMILESFc1ccccc1CC1CCCCO1
InChIInChI=1S/C12H15FO/c13-12-7-2-1-5-10(12)9-11-6-3-4-8-14-11/h1-2,5,7,11H,3-4,6,8-9H2
InChIKeyUUWMHGIAQIWPPD-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.94
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]oxane

2-[(2-fluorophenyl)methyl]oxane (PubChem CID 20724373) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]oxane.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]oxane
PubChem CID20724373
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name2-[(2-fluorophenyl)methyl]oxane
SMILESFc1ccccc1CC1CCCCO1
InChIInChI=1S/C12H15FO/c13-12-7-2-1-5-10(12)9-11-6-3-4-8-14-11/h1-2,5,7,11H,3-4,6,8-9H2
InChIKeyUUWMHGIAQIWPPD-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-6-(oxan-2-ylmethyl)aniline
CID 105463137
1-(2-fluorophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952955
2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid
CID 79417997
2-benzyloxepane
CID 14272917
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
1-(cyclobutylmethyl)-2-fluorobenzene
CID 89050192
2-chloro-6-(oxan-2-ylmethyl)aniline
CID 105483580
1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine
CID 114833690
2-[(2-fluorophenyl)sulfonylmethyl]oxane
CID 64716675
2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 114977828
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110608652

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]oxane?
The IUPAC name of 2-[(2-fluorophenyl)methyl]oxane (CID 20724373) is 2-[(2-fluorophenyl)methyl]oxane.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]oxane?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]oxane is Fc1ccccc1CC1CCCCO1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]oxane?
The InChIKey is UUWMHGIAQIWPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c13-12-7-2-1-5-10(12)9-11-6-3-4-8-14-11/h1-2,5,7,11H,3-4,6,8-9H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]oxane?
2-[(2-fluorophenyl)methyl]oxane has a molecular weight of 194.25 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]oxane is sourced from PubChem (CID 20724373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).