2-butan-2-yl-1,3-difluorobenzene

C10H12F2 — CID 56605716

IUPAC2-butan-2-yl-1,3-difluorobenzene
SMILESCCC(C)c1c(F)cccc1F
InChIInChI=1S/C10H12F2/c1-3-7(2)10-8(11)5-4-6-9(10)12/h4-7H,3H2,1-2H3
InChIKeyOBRIAZMDEZGQRE-UHFFFAOYSA-N
MW170.20 g/mol
LogP3.48
Rot. Bonds2

About 2-butan-2-yl-1,3-difluorobenzene

2-butan-2-yl-1,3-difluorobenzene (PubChem CID 56605716) has the molecular formula C10H12F2 and a molecular weight of 170.20 g/mol. Its IUPAC name is 2-butan-2-yl-1,3-difluorobenzene.

Molecular Properties

Compound Name2-butan-2-yl-1,3-difluorobenzene
PubChem CID56605716
Molecular FormulaC10H12F2
Molecular Weight170.20 g/mol
Exact Mass170.09
IUPAC Name2-butan-2-yl-1,3-difluorobenzene
SMILESCCC(C)c1c(F)cccc1F
InChIInChI=1S/C10H12F2/c1-3-7(2)10-8(11)5-4-6-9(10)12/h4-7H,3H2,1-2H3
InChIKeyOBRIAZMDEZGQRE-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene
CID 169167234
1,3-difluoro-2-pentan-3-ylbenzene
CID 123525738
2-(4-bromobutan-2-yl)-1,3-difluorobenzene
CID 83925329
3-(2,6-difluorophenyl)butane-1-thiol
CID 83925324
1-[(2R)-butan-2-yl]-3-fluoro-2-methylbenzene
CID 139403065
1,3-difluoro-2-pent-4-yn-2-ylbenzene
CID 83925354
1,3-difluoro-2-[(Z)-hex-4-en-2-yl]benzene
CID 83925405
2-[(1S)-1-aminopropyl]-3-fluoroaniline
CID 55295307
1-bromo-2-[bromo-(4-butan-2-ylphenyl)methyl]-3-fluorobenzene
CID 114560623
2-butan-2-yl-1,3-bis(trifluoromethyl)benzene
CID 20823616
2-[bromo-(4-butan-2-ylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 63438382
5-(2,6-difluorophenyl)hexan-2-one
CID 83925322

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1,3-difluorobenzene?
The IUPAC name of 2-butan-2-yl-1,3-difluorobenzene (CID 56605716) is 2-butan-2-yl-1,3-difluorobenzene.
What is the SMILES notation for 2-butan-2-yl-1,3-difluorobenzene?
The canonical SMILES for 2-butan-2-yl-1,3-difluorobenzene is CCC(C)c1c(F)cccc1F.
What is the InChIKey of 2-butan-2-yl-1,3-difluorobenzene?
The InChIKey is OBRIAZMDEZGQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2/c1-3-7(2)10-8(11)5-4-6-9(10)12/h4-7H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-1,3-difluorobenzene?
2-butan-2-yl-1,3-difluorobenzene has a molecular weight of 170.20 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1,3-difluorobenzene is sourced from PubChem (CID 56605716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).