1-(3,3-difluoropropyl)-4-methylbenzene

C10H12F2 — CID 142361339

IUPAC1-(3,3-difluoropropyl)-4-methylbenzene
SMILESCc1ccc(CCC(F)F)cc1
InChIInChI=1S/C10H12F2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5,10H,6-7H2,1H3
InChIKeyBMVKLIOCCXSDQO-UHFFFAOYSA-N
MW170.20 g/mol
LogP3.19
Rot. Bonds3

About 1-(3,3-difluoropropyl)-4-methylbenzene

1-(3,3-difluoropropyl)-4-methylbenzene (PubChem CID 142361339) has the molecular formula C10H12F2 and a molecular weight of 170.20 g/mol. Its IUPAC name is 1-(3,3-difluoropropyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(3,3-difluoropropyl)-4-methylbenzene
PubChem CID142361339
Molecular FormulaC10H12F2
Molecular Weight170.20 g/mol
Exact Mass170.09
IUPAC Name1-(3,3-difluoropropyl)-4-methylbenzene
SMILESCc1ccc(CCC(F)F)cc1
InChIInChI=1S/C10H12F2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5,10H,6-7H2,1H3
InChIKeyBMVKLIOCCXSDQO-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine
CID 83930827
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine
CID 117304334
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine
CID 11816793
2-bromobutane;1-(3-bromobutyl)-4-methylbenzene
CID 160913632
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine;hydrochloride
CID 117047046
1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine
CID 117327303
1-methyl-4-propylbenzene;trifluoroalumane
CID 174704537
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine
CID 117306564
2-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
CID 130315848

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropropyl)-4-methylbenzene?
The IUPAC name of 1-(3,3-difluoropropyl)-4-methylbenzene (CID 142361339) is 1-(3,3-difluoropropyl)-4-methylbenzene.
What is the SMILES notation for 1-(3,3-difluoropropyl)-4-methylbenzene?
The canonical SMILES for 1-(3,3-difluoropropyl)-4-methylbenzene is Cc1ccc(CCC(F)F)cc1.
What is the InChIKey of 1-(3,3-difluoropropyl)-4-methylbenzene?
The InChIKey is BMVKLIOCCXSDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5,10H,6-7H2,1H3.
What are the key properties of 1-(3,3-difluoropropyl)-4-methylbenzene?
1-(3,3-difluoropropyl)-4-methylbenzene has a molecular weight of 170.20 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropropyl)-4-methylbenzene is sourced from PubChem (CID 142361339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).