1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene

C10H9Cl2F — CID 19885742

IUPAC1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene
SMILESCCC(=C(Cl)Cl)c1cccc(F)c1
InChIInChI=1S/C10H9Cl2F/c1-2-9(10(11)12)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3
InChIKeyOFZMUQZMBPKHAB-UHFFFAOYSA-N
MW219.09 g/mol
LogP4.38
Rot. Bonds2

About 1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene

1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene (PubChem CID 19885742) has the molecular formula C10H9Cl2F and a molecular weight of 219.09 g/mol. Its IUPAC name is 1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene.

Molecular Properties

Compound Name1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene
PubChem CID19885742
Molecular FormulaC10H9Cl2F
Molecular Weight219.09 g/mol
Exact Mass218.01
IUPAC Name1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene
SMILESCCC(=C(Cl)Cl)c1cccc(F)c1
InChIInChI=1S/C10H9Cl2F/c1-2-9(10(11)12)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3
InChIKeyOFZMUQZMBPKHAB-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 103447329
(Z)-3-(3-fluorophenyl)pent-2-enal
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1,3-difluorobenzene;methanol
CID 144994633
3-(3-fluorophenyl)but-2-en-1-amine
CID 76996789
3-fluoro-N-hydroxybenzamide
CID 5082377
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
1-(3-fluorophenyl)-2-methylselanylethanone
CID 146165454
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950
2,2,2-trichloro-1-(3-fluorophenyl)ethanone
CID 21200944
methyl 3-fluorobenzoate
CID 521184
fluorobenzene;propanoyl chloride
CID 161139565
3-fluorobenzoyl bromide
CID 20822510

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene?
The IUPAC name of 1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene (CID 19885742) is 1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene.
What is the SMILES notation for 1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene?
The canonical SMILES for 1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene is CCC(=C(Cl)Cl)c1cccc(F)c1.
What is the InChIKey of 1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene?
The InChIKey is OFZMUQZMBPKHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F/c1-2-9(10(11)12)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3.
What are the key properties of 1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene?
1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene has a molecular weight of 219.09 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene is sourced from PubChem (CID 19885742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).