ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene

C14H23FO — CID 170577342

IUPACethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene
SMILESCC.CC(C)Cc1ccc(OC(C)F)cc1
InChIInChI=1S/C12H17FO.C2H6/c1-9(2)8-11-4-6-12(7-5-11)14-10(3)13;1-2/h4-7,9-10H,8H2,1-3H3;1-2H3
InChIKeyCWOWSKLDNQTOQZ-UHFFFAOYSA-N
MW226.34 g/mol
LogP4.61
Rot. Bonds4

About ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene

ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene (PubChem CID 170577342) has the molecular formula C14H23FO and a molecular weight of 226.34 g/mol. Its IUPAC name is ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Nameethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene
PubChem CID170577342
Molecular FormulaC14H23FO
Molecular Weight226.34 g/mol
Exact Mass226.17
IUPAC Nameethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene
SMILESCC.CC(C)Cc1ccc(OC(C)F)cc1
InChIInChI=1S/C12H17FO.C2H6/c1-9(2)8-11-4-6-12(7-5-11)14-10(3)13;1-2/h4-7,9-10H,8H2,1-3H3;1-2H3
InChIKeyCWOWSKLDNQTOQZ-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene
CID 178142290
3-[4-(2-methylpropyl)phenoxy]but-1-en-2-ol
CID 70658312
[(1R)-1-fluoroethoxy]benzene
CID 175733278
1-[2-(2-methylpropoxy)ethoxy]-4-(2-methylpropyl)benzene
CID 134169966
ethane;4-(2-methylpropyl)benzenethiol
CID 143751683
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
2-[4-(2-methylpropyl)phenoxy]ethanamine
CID 96670599
ethane;2-methylpropylbenzene
CID 162200929
2-(difluoromethoxy)-5-(2-methylpropyl)pyridine;ethane
CID 169136578
1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene
CID 178142552
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene
CID 139754036

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene?
The IUPAC name of ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene (CID 170577342) is ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene.
What is the SMILES notation for ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene?
The canonical SMILES for ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene is CC.CC(C)Cc1ccc(OC(C)F)cc1.
What is the InChIKey of ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene?
The InChIKey is CWOWSKLDNQTOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO.C2H6/c1-9(2)8-11-4-6-12(7-5-11)14-10(3)13;1-2/h4-7,9-10H,8H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene?
ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene has a molecular weight of 226.34 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene is sourced from PubChem (CID 170577342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).