(4,4-difluoro-2,2-dimethylpentyl)benzene

C13H18F2 — CID 155030658

IUPAC(4,4-difluoro-2,2-dimethylpentyl)benzene
SMILESCC(F)(F)CC(C)(C)Cc1ccccc1
InChIInChI=1S/C13H18F2/c1-12(2,10-13(3,14)15)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyGGKCPTVHOSTELT-UHFFFAOYSA-N
MW212.28 g/mol
LogP4.30
Rot. Bonds4

About (4,4-difluoro-2,2-dimethylpentyl)benzene

(4,4-difluoro-2,2-dimethylpentyl)benzene (PubChem CID 155030658) has the molecular formula C13H18F2 and a molecular weight of 212.28 g/mol. Its IUPAC name is (4,4-difluoro-2,2-dimethylpentyl)benzene.

Molecular Properties

Compound Name(4,4-difluoro-2,2-dimethylpentyl)benzene
PubChem CID155030658
Molecular FormulaC13H18F2
Molecular Weight212.28 g/mol
Exact Mass212.14
IUPAC Name(4,4-difluoro-2,2-dimethylpentyl)benzene
SMILESCC(F)(F)CC(C)(C)Cc1ccccc1
InChIInChI=1S/C13H18F2/c1-12(2,10-13(3,14)15)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyGGKCPTVHOSTELT-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5,5,5-trifluoro-2,2-dimethylpentyl)benzene
CID 70815571
(2-fluoro-2-methylpropyl)benzene
CID 14343442
azane;2,2-dimethylbutylbenzene
CID 175285583
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
2,2-dimethylpentylbenzene
CID 15727699
(4,4,4-trifluoro-2-iodo-2-methylbutyl)benzene
CID 139678016
2,2-difluorobutylbenzene
CID 12695736
2,2-dimethylpropylbenzene;methanol
CID 157125736
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
3-fluoro-3-methyl-4-phenylbutan-1-amine
CID 83855362
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
[2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene
CID 166944677

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-2,2-dimethylpentyl)benzene?
The IUPAC name of (4,4-difluoro-2,2-dimethylpentyl)benzene (CID 155030658) is (4,4-difluoro-2,2-dimethylpentyl)benzene.
What is the SMILES notation for (4,4-difluoro-2,2-dimethylpentyl)benzene?
The canonical SMILES for (4,4-difluoro-2,2-dimethylpentyl)benzene is CC(F)(F)CC(C)(C)Cc1ccccc1.
What is the InChIKey of (4,4-difluoro-2,2-dimethylpentyl)benzene?
The InChIKey is GGKCPTVHOSTELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2/c1-12(2,10-13(3,14)15)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of (4,4-difluoro-2,2-dimethylpentyl)benzene?
(4,4-difluoro-2,2-dimethylpentyl)benzene has a molecular weight of 212.28 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-2,2-dimethylpentyl)benzene is sourced from PubChem (CID 155030658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).