1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene

C18H21F5O — CID 70846462

IUPAC1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OC(F)(F)C(F)=C(F)F)cc2)CC1
InChIInChI=1S/C18H21F5O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)24-18(22,23)16(19)17(20)21/h8-13H,2-7H2,1H3
InChIKeyRWDPVLQGNWRJOJ-UHFFFAOYSA-N
MW348.36 g/mol
LogP6.81
Rot. Bonds6

About 1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene

1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene (PubChem CID 70846462) has the molecular formula C18H21F5O and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene
PubChem CID70846462
Molecular FormulaC18H21F5O
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC Name1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OC(F)(F)C(F)=C(F)F)cc2)CC1
InChIInChI=1S/C18H21F5O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)24-18(22,23)16(19)17(20)21/h8-13H,2-7H2,1H3
InChIKeyRWDPVLQGNWRJOJ-UHFFFAOYSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.36
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405
tris[4-(4-propylcyclohexyl)phenyl] borate
CID 140819845
1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 22908550
2-[2-(4-propylcyclohexyl)ethyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837145
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
CID 123420497
(4aR,6R,8aR)-2-propyl-6-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809535
1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene
CID 10172158
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
CID 21043309

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene (CID 70846462) is 1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(OC(F)(F)C(F)=C(F)F)cc2)CC1.
What is the InChIKey of 1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene?
The InChIKey is RWDPVLQGNWRJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F5O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)24-18(22,23)16(19)17(20)21/h8-13H,2-7H2,1H3.
What are the key properties of 1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene?
1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene has a molecular weight of 348.36 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 70846462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).