(1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole

C9H7F4N — CID 130658449

IUPAC(1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole
SMILESFc1ccc2c(c1)[C@H](C(F)(F)F)NC2
InChIInChI=1S/C9H7F4N/c10-6-2-1-5-4-14-8(7(5)3-6)9(11,12)13/h1-3,8,14H,4H2/t8-/m1/s1
InChIKeyJKIAKVAXPNWVND-MRVPVSSYSA-N
MW205.15 g/mol
LogP2.53
Rot. Bonds

About (1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole

(1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole (PubChem CID 130658449) has the molecular formula C9H7F4N and a molecular weight of 205.15 g/mol. Its IUPAC name is (1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name(1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole
PubChem CID130658449
Molecular FormulaC9H7F4N
Molecular Weight205.15 g/mol
Exact Mass205.05
IUPAC Name(1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole
SMILESFc1ccc2c(c1)[C@H](C(F)(F)F)NC2
InChIInChI=1S/C9H7F4N/c10-6-2-1-5-4-14-8(7(5)3-6)9(11,12)13/h1-3,8,14H,4H2/t8-/m1/s1
InChIKeyJKIAKVAXPNWVND-MRVPVSSYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of (1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole (CID 130658449) is (1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for (1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for (1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole is Fc1ccc2c(c1)[C@H](C(F)(F)F)NC2.
What is the InChIKey of (1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
The InChIKey is JKIAKVAXPNWVND-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H7F4N/c10-6-2-1-5-4-14-8(7(5)3-6)9(11,12)13/h1-3,8,14H,4H2/t8-/m1/s1.
What are the key properties of (1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole?
(1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole has a molecular weight of 205.15 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-fluoro-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 130658449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).