1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene

C10H10F2 — CID 84717270

IUPAC1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
SMILESFc1cccc(CC2(F)CC2)c1
InChIInChI=1S/C10H10F2/c11-9-3-1-2-8(6-9)7-10(12)4-5-10/h1-3,6H,4-5,7H2
InChIKeyCRPBRQOYFBJLLD-UHFFFAOYSA-N
MW168.19 g/mol
LogP2.87
Rot. Bonds2

About 1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene

1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene (PubChem CID 84717270) has the molecular formula C10H10F2 and a molecular weight of 168.19 g/mol. Its IUPAC name is 1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
PubChem CID84717270
Molecular FormulaC10H10F2
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
SMILESFc1cccc(CC2(F)CC2)c1
InChIInChI=1S/C10H10F2/c11-9-3-1-2-8(6-9)7-10(12)4-5-10/h1-3,6H,4-5,7H2
InChIKeyCRPBRQOYFBJLLD-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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[3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
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3-chloro-3-[(3-fluorophenyl)methyl]thietane
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3-[3-[(1-fluorocyclopropyl)methyl]phenyl]propanoic acid
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CID 65379302
1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65194237
2-ethyl-2-[(3-fluorophenyl)methyl]azetidine
CID 115058779
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315
1-[(3-fluorophenyl)methyl]-2-oxocyclopentane-1-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene?
The IUPAC name of 1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene (CID 84717270) is 1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene.
What is the SMILES notation for 1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene?
The canonical SMILES for 1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene is Fc1cccc(CC2(F)CC2)c1.
What is the InChIKey of 1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene?
The InChIKey is CRPBRQOYFBJLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2/c11-9-3-1-2-8(6-9)7-10(12)4-5-10/h1-3,6H,4-5,7H2.
What are the key properties of 1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene?
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene has a molecular weight of 168.19 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene is sourced from PubChem (CID 84717270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).