(4-fluoro-1H-indol-5-yl)methylcarbamic acid

C10H9FN2O2 — CID 118665293

IUPAC(4-fluoro-1H-indol-5-yl)methylcarbamic acid
SMILESO=C(O)NCc1ccc2[nH]ccc2c1F
InChIInChI=1S/C10H9FN2O2/c11-9-6(5-13-10(14)15)1-2-8-7(9)3-4-12-8/h1-4,12-13H,5H2,(H,14,15)
InChIKeyZLOOMHQSSQQJMD-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.07
Rot. Bonds2

About (4-fluoro-1H-indol-5-yl)methylcarbamic acid

(4-fluoro-1H-indol-5-yl)methylcarbamic acid (PubChem CID 118665293) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is (4-fluoro-1H-indol-5-yl)methylcarbamic acid.

Molecular Properties

Compound Name(4-fluoro-1H-indol-5-yl)methylcarbamic acid
PubChem CID118665293
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name(4-fluoro-1H-indol-5-yl)methylcarbamic acid
SMILESO=C(O)NCc1ccc2[nH]ccc2c1F
InChIInChI=1S/C10H9FN2O2/c11-9-6(5-13-10(14)15)1-2-8-7(9)3-4-12-8/h1-4,12-13H,5H2,(H,14,15)
InChIKeyZLOOMHQSSQQJMD-UHFFFAOYSA-N
XLogP2.07
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-1H-indol-5-yl)propan-2-amine
CID 117283015
N-[(2,4-difluorophenyl)methyl]-1H-indole-4-carboxamide
CID 62227209
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
(4-fluoro-1H-indol-5-yl) N-methylcarbamate
CID 175335995
2-chloro-N-[(1-fluoronaphthalen-2-yl)methyl]acetamide
CID 166415097
4-(4-chloro-1H-indol-5-yl)butanoic acid
CID 117348042
4-fluoro-1H-indol-5-amine;hydrochloride
CID 138393680
4-methyl-1H-indole-5-carboxylic acid
CID 58820277
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide
CID 145222330
tert-butyl N-[(4-fluoro-3-methyl-1H-indol-5-yl)methyl]carbamate
CID 145002119

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-indol-5-yl)methylcarbamic acid?
The IUPAC name of (4-fluoro-1H-indol-5-yl)methylcarbamic acid (CID 118665293) is (4-fluoro-1H-indol-5-yl)methylcarbamic acid.
What is the SMILES notation for (4-fluoro-1H-indol-5-yl)methylcarbamic acid?
The canonical SMILES for (4-fluoro-1H-indol-5-yl)methylcarbamic acid is O=C(O)NCc1ccc2[nH]ccc2c1F.
What is the InChIKey of (4-fluoro-1H-indol-5-yl)methylcarbamic acid?
The InChIKey is ZLOOMHQSSQQJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-9-6(5-13-10(14)15)1-2-8-7(9)3-4-12-8/h1-4,12-13H,5H2,(H,14,15).
What are the key properties of (4-fluoro-1H-indol-5-yl)methylcarbamic acid?
(4-fluoro-1H-indol-5-yl)methylcarbamic acid has a molecular weight of 208.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-indol-5-yl)methylcarbamic acid is sourced from PubChem (CID 118665293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).