1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene

C15H20F2 — CID 176552656

IUPAC1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene
SMILESCC(C)C1CCC(c2c(F)cccc2F)CC1
InChIInChI=1S/C15H20F2/c1-10(2)11-6-8-12(9-7-11)15-13(16)4-3-5-14(15)17/h3-5,10-12H,6-9H2,1-2H3
InChIKeyDDURWGXUCYCAPR-UHFFFAOYSA-N
MW238.32 g/mol
LogP4.89
Rot. Bonds2

About 1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene

1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene (PubChem CID 176552656) has the molecular formula C15H20F2 and a molecular weight of 238.32 g/mol. Its IUPAC name is 1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene
PubChem CID176552656
Molecular FormulaC15H20F2
Molecular Weight238.32 g/mol
Exact Mass238.15
IUPAC Name1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene
SMILESCC(C)C1CCC(c2c(F)cccc2F)CC1
InChIInChI=1S/C15H20F2/c1-10(2)11-6-8-12(9-7-11)15-13(16)4-3-5-14(15)17/h3-5,10-12H,6-9H2,1-2H3
InChIKeyDDURWGXUCYCAPR-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-3-methyl-2-(3-propan-2-ylcyclobutyl)benzene
CID 174276032
2-cyclopropyl-1-fluoro-3-methoxybenzene
CID 144811064
1,3-difluoro-2-(4-methylidenecyclohexyl)benzene
CID 91326891
6-fluoro-1-methyl-7-(4-propan-2-ylcyclohexyl)indazole
CID 176552604
bis(2-cyclopropyl-3-fluorophenyl)methanone
CID 73011767
N-(1-cyclopropylethyl)-2,6-difluoroaniline
CID 43123985
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63449895
1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
1-(1-cyclopropylethyl)-2-fluorobenzene
CID 126566249
2-cyclopentyl-3-fluorophenol
CID 117104118
1-fluoro-2-(3-propan-2-ylcyclohexyl)benzene
CID 135179101
3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine
CID 64504263

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene?
The IUPAC name of 1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene (CID 176552656) is 1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene.
What is the SMILES notation for 1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene?
The canonical SMILES for 1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene is CC(C)C1CCC(c2c(F)cccc2F)CC1.
What is the InChIKey of 1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene?
The InChIKey is DDURWGXUCYCAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2/c1-10(2)11-6-8-12(9-7-11)15-13(16)4-3-5-14(15)17/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene?
1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene has a molecular weight of 238.32 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(4-propan-2-ylcyclohexyl)benzene is sourced from PubChem (CID 176552656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).