1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid

C14H16FNO4 — CID 166759574

IUPAC1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid
SMILESCC(COc1cc(F)c2c(c1)CC(C=O)C2)NC(=O)O
InChIInChI=1S/C14H16FNO4/c1-8(16-14(18)19)7-20-11-4-10-2-9(6-17)3-12(10)13(15)5-11/h4-6,8-9,16H,2-3,7H2,1H3,(H,18,19)
InChIKeyJDPCZGMKFPFNEK-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.77
Rot. Bonds5

About 1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid

1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid (PubChem CID 166759574) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid
PubChem CID166759574
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid
SMILESCC(COc1cc(F)c2c(c1)CC(C=O)C2)NC(=O)O
InChIInChI=1S/C14H16FNO4/c1-8(16-14(18)19)7-20-11-4-10-2-9(6-17)3-12(10)13(15)5-11/h4-6,8-9,16H,2-3,7H2,1H3,(H,18,19)
InChIKeyJDPCZGMKFPFNEK-UHFFFAOYSA-N
XLogP1.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(4-bromo-3,5-difluorophenoxy)propan-2-yl]carbamic acid
CID 67778385
tert-butyl (3S)-4-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
CID 167514603
[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid
CID 90097336
[(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid
CID 146662746
[4-fluoro-6-(2-methoxyethoxymethoxy)-2,3-dihydro-1H-inden-2-yl]methylcarbamic acid
CID 155103425
[(2S)-1-[4-[6-(cyclopropylmethoxy)-3-fluoropyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenoxy]propan-2-yl]carbamic acid
CID 67778494
1-[4-(4-phenylmethoxyphenoxy)phenoxy]propan-2-ylcarbamic acid
CID 67071566
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
3-(4-fluorophenoxy)-5-(2-methylpropoxy)benzoic acid
CID 66970051
[(2S)-1-[[6-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 67778322
[1-[(1-chloro-6-formyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxymethyl]cyclopropyl]carbamic acid
CID 166759615
ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate
CID 67778422

Frequently Asked Questions

What is the IUPAC name of 1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid?
The IUPAC name of 1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid (CID 166759574) is 1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid.
What is the SMILES notation for 1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid?
The canonical SMILES for 1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid is CC(COc1cc(F)c2c(c1)CC(C=O)C2)NC(=O)O.
What is the InChIKey of 1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid?
The InChIKey is JDPCZGMKFPFNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-8(16-14(18)19)7-20-11-4-10-2-9(6-17)3-12(10)13(15)5-11/h4-6,8-9,16H,2-3,7H2,1H3,(H,18,19).
What are the key properties of 1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid?
1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid has a molecular weight of 281.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid is sourced from PubChem (CID 166759574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).