1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole

C14H17F2N — CID 114225261

IUPAC1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole
SMILESFC1(F)CCC(CC2NCc3ccccc32)C1
InChIInChI=1S/C14H17F2N/c15-14(16)6-5-10(8-14)7-13-12-4-2-1-3-11(12)9-17-13/h1-4,10,13,17H,5-9H2
InChIKeySKKFDXPHRPRIMQ-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.66
Rot. Bonds2

About 1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole

1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole (PubChem CID 114225261) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole
PubChem CID114225261
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole
SMILESFC1(F)CCC(CC2NCc3ccccc32)C1
InChIInChI=1S/C14H17F2N/c15-14(16)6-5-10(8-14)7-13-12-4-2-1-3-11(12)9-17-13/h1-4,10,13,17H,5-9H2
InChIKeySKKFDXPHRPRIMQ-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde
CID 89299506
1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 64905082
3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine
CID 112565836
2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol
CID 129390481
2-(2,3-dihydro-1H-isoindol-1-yl)ethanamine
CID 86111569
1-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-isoindole
CID 116627042
1-(nitromethyl)-2,3-dihydro-1H-isoindole
CID 57309014
1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole
CID 82924962
(1S)-1-fluoro-2,3-dihydro-1H-isoindole
CID 97110854
1-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1H-isoindole
CID 65046463
1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-isoindole
CID 65046308
1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104609

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole (CID 114225261) is 1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole is FC1(F)CCC(CC2NCc3ccccc32)C1.
What is the InChIKey of 1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole?
The InChIKey is SKKFDXPHRPRIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c15-14(16)6-5-10(8-14)7-13-12-4-2-1-3-11(12)9-17-13/h1-4,10,13,17H,5-9H2.
What are the key properties of 1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole?
1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole has a molecular weight of 237.29 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 114225261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).