2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole

C12H14FN — CID 175938518

IUPAC2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole
SMILESFC1(CN2Cc3ccccc3C2)CC1
InChIInChI=1S/C12H14FN/c13-12(5-6-12)9-14-7-10-3-1-2-4-11(10)8-14/h1-4H,5-9H2
InChIKeyOVABZFKEPIHWTI-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.50
Rot. Bonds2

About 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole

2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole (PubChem CID 175938518) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole
PubChem CID175938518
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole
SMILESFC1(CN2Cc3ccccc3C2)CC1
InChIInChI=1S/C12H14FN/c13-12(5-6-12)9-14-7-10-3-1-2-4-11(10)8-14/h1-4H,5-9H2
InChIKeyOVABZFKEPIHWTI-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine
CID 125482074
2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 167830768
[1-(1,3-dihydroisoindol-2-ylmethyl)cyclohexyl]methanamine
CID 55051740
4-(1,3-dihydroisoindol-2-ylmethyl)oxan-4-amine
CID 84736332
2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole
CID 104595002
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol
CID 65212502
2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143296
3-(1,3-dihydroisoindol-2-ylmethyl)oxan-3-amine
CID 84736334
2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole
CID 106976381
2-[(1-fluorocyclopropyl)methyl]aniline
CID 84717042
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166

Frequently Asked Questions

What is the IUPAC name of 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole (CID 175938518) is 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole is FC1(CN2Cc3ccccc3C2)CC1.
What is the InChIKey of 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole?
The InChIKey is OVABZFKEPIHWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c13-12(5-6-12)9-14-7-10-3-1-2-4-11(10)8-14/h1-4H,5-9H2.
What are the key properties of 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole?
2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole has a molecular weight of 191.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 175938518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).