5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene

C14H18F2 — CID 167149931

IUPAC5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene
SMILESCC(C)c1c(F)cc(CCC2CC2)cc1F
InChIInChI=1S/C14H18F2/c1-9(2)14-12(15)7-11(8-13(14)16)6-5-10-3-4-10/h7-10H,3-6H2,1-2H3
InChIKeyLSQTWXOIKSTNBB-UHFFFAOYSA-N
MW224.29 g/mol
LogP4.43
Rot. Bonds4

About 5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene

5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene (PubChem CID 167149931) has the molecular formula C14H18F2 and a molecular weight of 224.29 g/mol. Its IUPAC name is 5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene.

Molecular Properties

Compound Name5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene
PubChem CID167149931
Molecular FormulaC14H18F2
Molecular Weight224.29 g/mol
Exact Mass224.14
IUPAC Name5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene
SMILESCC(C)c1c(F)cc(CCC2CC2)cc1F
InChIInChI=1S/C14H18F2/c1-9(2)14-12(15)7-11(8-13(14)16)6-5-10-3-4-10/h7-10H,3-6H2,1-2H3
InChIKeyLSQTWXOIKSTNBB-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[bromo(difluoro)methyl]-1,3-difluoro-5-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 20653978
(1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine
CID 142359907
1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21136635
5-[2-[4-[(E)-but-2-enyl]cyclohexyl]ethyl]-1,2,3-trifluorobenzene
CID 67588710
5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene
CID 22446764
2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 160603486
1,3-bis(2-cyclopropylethyl)-5-methylbenzene
CID 170966116
1,2,3-trifluoro-5-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]benzene
CID 67589901
1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]-2-[(E)-prop-1-enyl]benzene
CID 89134725
1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)benzene
CID 20654364
2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 22886894
2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene
CID 21136716

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene?
The IUPAC name of 5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene (CID 167149931) is 5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene.
What is the SMILES notation for 5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene?
The canonical SMILES for 5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene is CC(C)c1c(F)cc(CCC2CC2)cc1F.
What is the InChIKey of 5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene?
The InChIKey is LSQTWXOIKSTNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2/c1-9(2)14-12(15)7-11(8-13(14)16)6-5-10-3-4-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene?
5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene has a molecular weight of 224.29 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene is sourced from PubChem (CID 167149931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).