1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene

C14H18F2 — CID 116841647

IUPAC1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(F)(F)C2CC2)cc1
InChIInChI=1S/C14H18F2/c1-10(2)9-11-3-5-12(6-4-11)14(15,16)13-7-8-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyDJTYPRWSNAICPB-UHFFFAOYSA-N
MW224.29 g/mol
LogP4.39
Rot. Bonds4

About 1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene

1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene (PubChem CID 116841647) has the molecular formula C14H18F2 and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene
PubChem CID116841647
Molecular FormulaC14H18F2
Molecular Weight224.29 g/mol
Exact Mass224.14
IUPAC Name1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(F)(F)C2CC2)cc1
InChIInChI=1S/C14H18F2/c1-10(2)9-11-3-5-12(6-4-11)14(15,16)13-7-8-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyDJTYPRWSNAICPB-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde
CID 105465847
1-[cyclopropyl(difluoro)methyl]-4-propan-2-ylsulfanylbenzene
CID 116841718
3-cyclopropyl-3-hydroxy-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 112507671
1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 80604999
1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene
CID 116841666
1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
CID 143199593
2-[4-[cyclopropyl(difluoro)methyl]phenyl]butanoic acid
CID 116992413
N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 66204154
1-(2-chloro-3-cyclopropylbutyl)-4-(trifluoromethyl)benzene
CID 83149862
1-tert-butyl-4-(2-methylpropyl)benzene;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene
CID 142606160
N-methyl-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 82283210
[4-[cyclopropyl(difluoro)methyl]phenyl]hydrazine
CID 116992429

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene?
The IUPAC name of 1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene (CID 116841647) is 1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(C(F)(F)C2CC2)cc1.
What is the InChIKey of 1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene?
The InChIKey is DJTYPRWSNAICPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2/c1-10(2)9-11-3-5-12(6-4-11)14(15,16)13-7-8-13/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene?
1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene has a molecular weight of 224.29 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene is sourced from PubChem (CID 116841647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).