2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene

C17H24F2 — CID 91116648

IUPAC2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene
SMILESCC1CCC(Cc2ccc(C(C)C)c(F)c2F)CC1
InChIInChI=1S/C17H24F2/c1-11(2)15-9-8-14(16(18)17(15)19)10-13-6-4-12(3)5-7-13/h8-9,11-13H,4-7,10H2,1-3H3
InChIKeyLJVUJLVDKGHDOY-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.46
Rot. Bonds3

About 2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene

2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene (PubChem CID 91116648) has the molecular formula C17H24F2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene
PubChem CID91116648
Molecular FormulaC17H24F2
Molecular Weight266.38 g/mol
Exact Mass266.18
IUPAC Name2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene
SMILESCC1CCC(Cc2ccc(C(C)C)c(F)c2F)CC1
InChIInChI=1S/C17H24F2/c1-11(2)15-9-8-14(16(18)17(15)19)10-13-6-4-12(3)5-7-13/h8-9,11-13H,4-7,10H2,1-3H3
InChIKeyLJVUJLVDKGHDOY-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene
CID 134273621
2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 20742506
CID 161186786
CID 161186786
2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane
CID 158762023
3-fluoro-1-[(4-methoxycyclohexyl)methyl]-2-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene
CID 58212285
2-(cyclopropylmethyl)-6-fluoro-3-propan-2-ylpyridine
CID 130382070
ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane
CID 142810006
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexen-1-yl]-4-propan-2-ylbenzene
CID 91500726
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
CID 71050901
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane
CID 143149652
1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole
CID 176644933

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene?
The IUPAC name of 2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene (CID 91116648) is 2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene.
What is the SMILES notation for 2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene?
The canonical SMILES for 2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene is CC1CCC(Cc2ccc(C(C)C)c(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene?
The InChIKey is LJVUJLVDKGHDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2/c1-11(2)15-9-8-14(16(18)17(15)19)10-13-6-4-12(3)5-7-13/h8-9,11-13H,4-7,10H2,1-3H3.
What are the key properties of 2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene?
2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene has a molecular weight of 266.38 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene is sourced from PubChem (CID 91116648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).