1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene

C18H26F2 — CID 67878604

IUPAC1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene
SMILESCCCc1ccc([C@H]2CC[C@H](CCC)CC2(F)F)cc1
InChIInChI=1S/C18H26F2/c1-3-5-14-7-10-16(11-8-14)17-12-9-15(6-4-2)13-18(17,19)20/h7-8,10-11,15,17H,3-6,9,12-13H2,1-2H3/t15-,17+/m0/s1
InChIKeyKTCYCZGSPKGYST-DOTOQJQBSA-N
MW280.40 g/mol
LogP5.96
Rot. Bonds5

About 1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene

1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene (PubChem CID 67878604) has the molecular formula C18H26F2 and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene
PubChem CID67878604
Molecular FormulaC18H26F2
Molecular Weight280.40 g/mol
Exact Mass280.20
IUPAC Name1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene
SMILESCCCc1ccc([C@H]2CC[C@H](CCC)CC2(F)F)cc1
InChIInChI=1S/C18H26F2/c1-3-5-14-7-10-16(11-8-14)17-12-9-15(6-4-2)13-18(17,19)20/h7-8,10-11,15,17H,3-6,9,12-13H2,1-2H3/t15-,17+/m0/s1
InChIKeyKTCYCZGSPKGYST-DOTOQJQBSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.40
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2,2-difluoro-4-propylcyclohexyl)benzoic acid
CID 155218145
1-[(1R,4S)-2,2-difluoro-4-(4-propylcyclohexyl)cyclohexyl]-4-ethylbenzene
CID 139604028
1-[4-[(2,2-difluoro-4-propylcyclohexyl)oxymethyl]cyclohexyl]-4-(3-fluoropropyl)benzene
CID 130352196
1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 130352162
5,5,6,6-tetrafluoro-1-(4-propylcyclohexyl)-4-[2-(4-propylphenyl)ethyl]cyclohexa-1,3-diene
CID 121476332
1-[4-[(E)-4-(2,2-difluoro-4-propylcyclohexyl)but-1-enyl]cyclohexyl]-4-ethylbenzene
CID 130352201
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
ethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene
CID 145429126
4-[(1R,4S)-2,2-difluoro-4-(4-propylcyclohexyl)cyclohexyl]-1-ethoxy-2-fluorobenzene
CID 139604058
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane
CID 70408940

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene?
The IUPAC name of 1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene (CID 67878604) is 1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene.
What is the SMILES notation for 1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene?
The canonical SMILES for 1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene is CCCc1ccc([C@H]2CC[C@H](CCC)CC2(F)F)cc1.
What is the InChIKey of 1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene?
The InChIKey is KTCYCZGSPKGYST-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H26F2/c1-3-5-14-7-10-16(11-8-14)17-12-9-15(6-4-2)13-18(17,19)20/h7-8,10-11,15,17H,3-6,9,12-13H2,1-2H3/t15-,17+/m0/s1.
What are the key properties of 1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene?
1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene has a molecular weight of 280.40 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4S)-2,2-difluoro-4-propylcyclohexyl]-4-propylbenzene is sourced from PubChem (CID 67878604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).