1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene

C13H17F — CID 177366781

IUPAC1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene
SMILESCC(C)C1(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C13H17F/c1-10(2)13(7-8-13)9-11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKeyUICIOBWYBVIWGH-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.80
Rot. Bonds3

About 1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene

1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene (PubChem CID 177366781) has the molecular formula C13H17F and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene
PubChem CID177366781
Molecular FormulaC13H17F
Molecular Weight192.28 g/mol
Exact Mass192.13
IUPAC Name1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene
SMILESCC(C)C1(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C13H17F/c1-10(2)13(7-8-13)9-11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKeyUICIOBWYBVIWGH-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine
CID 113348787
4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 60895688
1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene
CID 177366881
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
1-fluoro-4-[(1-fluorocyclopentyl)methyl]benzene
CID 84720734
1-[[1-(1-chloroethyl)cyclopropyl]methyl]-4-methylbenzene
CID 106798408
1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol
CID 106798205
(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine
CID 124511306
1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol
CID 106798247
1-[(4-fluorophenyl)methyl]cyclobutan-1-amine;hydrochloride
CID 86277096
N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine
CID 106797601
3-[(2,5-difluorophenyl)methyl]-3-propan-2-ylazetidine
CID 79451244

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene?
The IUPAC name of 1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene (CID 177366781) is 1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene?
The canonical SMILES for 1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene is CC(C)C1(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene?
The InChIKey is UICIOBWYBVIWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F/c1-10(2)13(7-8-13)9-11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene?
1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene has a molecular weight of 192.28 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(1-propan-2-ylcyclopropyl)methyl]benzene is sourced from PubChem (CID 177366781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).