4-(2-fluoro-4-propylphenyl)oxane

C14H19FO — CID 153081672

IUPAC4-(2-fluoro-4-propylphenyl)oxane
SMILESCCCc1ccc(C2CCOCC2)c(F)c1
InChIInChI=1S/C14H19FO/c1-2-3-11-4-5-13(14(15)10-11)12-6-8-16-9-7-12/h4-5,10,12H,2-3,6-9H2,1H3
InChIKeyVNJVLKMFZGSMPN-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.67
Rot. Bonds3

About 4-(2-fluoro-4-propylphenyl)oxane

4-(2-fluoro-4-propylphenyl)oxane (PubChem CID 153081672) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 4-(2-fluoro-4-propylphenyl)oxane.

Molecular Properties

Compound Name4-(2-fluoro-4-propylphenyl)oxane
PubChem CID153081672
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name4-(2-fluoro-4-propylphenyl)oxane
SMILESCCCc1ccc(C2CCOCC2)c(F)c1
InChIInChI=1S/C14H19FO/c1-2-3-11-4-5-13(14(15)10-11)12-6-8-16-9-7-12/h4-5,10,12H,2-3,6-9H2,1H3
InChIKeyVNJVLKMFZGSMPN-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-ethyl-2-fluorophenyl)oxane
CID 149055517
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
CID 71422815
2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18344256
1-butyl-2,3-difluoro-4-[4-(2-fluoro-4-propylphenyl)cyclohexyl]benzene
CID 58140601
(2S)-3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid
CID 122703374
3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-hydroxypropanoic acid
CID 175256036
1-[4-[4-[2-(3,4-difluorophenyl)-1,1-difluoroethyl]cyclohexyl]cyclohexyl]-2-fluoro-4-propylbenzene
CID 18344050
2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848552
2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848519
1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 151687811
(4-cyclopropyl-3-fluorophenyl)methanol;ethane
CID 144930453
2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethyl]-4-propylbenzene
CID 58141062

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-propylphenyl)oxane?
The IUPAC name of 4-(2-fluoro-4-propylphenyl)oxane (CID 153081672) is 4-(2-fluoro-4-propylphenyl)oxane.
What is the SMILES notation for 4-(2-fluoro-4-propylphenyl)oxane?
The canonical SMILES for 4-(2-fluoro-4-propylphenyl)oxane is CCCc1ccc(C2CCOCC2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-propylphenyl)oxane?
The InChIKey is VNJVLKMFZGSMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-2-3-11-4-5-13(14(15)10-11)12-6-8-16-9-7-12/h4-5,10,12H,2-3,6-9H2,1H3.
What are the key properties of 4-(2-fluoro-4-propylphenyl)oxane?
4-(2-fluoro-4-propylphenyl)oxane has a molecular weight of 222.30 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-propylphenyl)oxane is sourced from PubChem (CID 153081672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).