ethane;3-(4-fluorophenyl)-3-methyloxane

C14H21FO — CID 143760274

IUPACethane;3-(4-fluorophenyl)-3-methyloxane
SMILESCC.CC1(c2ccc(F)cc2)CCCOC1
InChIInChI=1S/C12H15FO.C2H6/c1-12(7-2-8-14-9-12)10-3-5-11(13)6-4-10;1-2/h3-6H,2,7-9H2,1H3;1-2H3
InChIKeyFSBSAEKMGGJNSL-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.92
Rot. Bonds1

About ethane;3-(4-fluorophenyl)-3-methyloxane

ethane;3-(4-fluorophenyl)-3-methyloxane (PubChem CID 143760274) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is ethane;3-(4-fluorophenyl)-3-methyloxane.

Molecular Properties

Compound Nameethane;3-(4-fluorophenyl)-3-methyloxane
PubChem CID143760274
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Nameethane;3-(4-fluorophenyl)-3-methyloxane
SMILESCC.CC1(c2ccc(F)cc2)CCCOC1
InChIInChI=1S/C12H15FO.C2H6/c1-12(7-2-8-14-9-12)10-3-5-11(13)6-4-10;1-2/h3-6H,2,7-9H2,1H3;1-2H3
InChIKeyFSBSAEKMGGJNSL-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1-fluoro-4-(1-methylcyclopentyl)benzene
CID 174449315
(3R)-3-(4-fluorophenyl)oxane-3-carbonitrile
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(2S)-2-(4-fluorophenyl)-2-methyloxetane
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[3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol
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6-(4-chlorophenyl)-6-methyl-1,4-oxazepane
CID 82287712
3-(4-fluorophenyl)-3-methylazetidine;hydrochloride
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1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine
CID 142989698
N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113347998
6-fluoro-3-(3-methyloxan-3-yl)-1H-benzimidazole-2-thione
CID 114113658
ethane;4-methoxy-4-(4-methylphenyl)oxepane
CID 143594284
[5-(3-methyloxan-3-yl)-1H-imidazol-2-yl]methanamine
CID 115020322
4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine
CID 82770544

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-fluorophenyl)-3-methyloxane?
The IUPAC name of ethane;3-(4-fluorophenyl)-3-methyloxane (CID 143760274) is ethane;3-(4-fluorophenyl)-3-methyloxane.
What is the SMILES notation for ethane;3-(4-fluorophenyl)-3-methyloxane?
The canonical SMILES for ethane;3-(4-fluorophenyl)-3-methyloxane is CC.CC1(c2ccc(F)cc2)CCCOC1.
What is the InChIKey of ethane;3-(4-fluorophenyl)-3-methyloxane?
The InChIKey is FSBSAEKMGGJNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO.C2H6/c1-12(7-2-8-14-9-12)10-3-5-11(13)6-4-10;1-2/h3-6H,2,7-9H2,1H3;1-2H3.
What are the key properties of ethane;3-(4-fluorophenyl)-3-methyloxane?
ethane;3-(4-fluorophenyl)-3-methyloxane has a molecular weight of 224.32 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-fluorophenyl)-3-methyloxane is sourced from PubChem (CID 143760274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).