methyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate

C14H18FNO2 — CID 66805279

IUPACmethyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1cc2c(cc1F)CC[C@H]2NC(C)C
InChIInChI=1S/C14H18FNO2/c1-8(2)16-13-5-4-9-6-12(15)11(7-10(9)13)14(17)18-3/h6-8,13,16H,4-5H2,1-3H3/t13-/m1/s1
InChIKeyPVOSOVIZQXSSOV-CYBMUJFWSA-N
MW251.30 g/mol
LogP2.60
Rot. Bonds3

About methyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate

methyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 66805279) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID66805279
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Namemethyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1cc2c(cc1F)CC[C@H]2NC(C)C
InChIInChI=1S/C14H18FNO2/c1-8(2)16-13-5-4-9-6-12(15)11(7-10(9)13)14(17)18-3/h6-8,13,16H,4-5H2,1-3H3/t13-/m1/s1
InChIKeyPVOSOVIZQXSSOV-CYBMUJFWSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate (CID 66805279) is methyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1cc2c(cc1F)CC[C@H]2NC(C)C.
What is the InChIKey of methyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is PVOSOVIZQXSSOV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-8(2)16-13-5-4-9-6-12(15)11(7-10(9)13)14(17)18-3/h6-8,13,16H,4-5H2,1-3H3/t13-/m1/s1.
What are the key properties of methyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-6-fluoro-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 66805279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).