2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid

C17H19F2NO2 — CID 11536839

IUPAC2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid
SMILESCCCC1(CC(=O)O)CCCc2c1[nH]c1cc(F)cc(F)c21
InChIInChI=1S/C17H19F2NO2/c1-2-5-17(9-14(21)22)6-3-4-11-15-12(19)7-10(18)8-13(15)20-16(11)17/h7-8,20H,2-6,9H2,1H3,(H,21,22)
InChIKeyAFDTUDKFSMWIAU-UHFFFAOYSA-N
MW307.34 g/mol
LogP4.30
Rot. Bonds4

About 2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid

2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid (PubChem CID 11536839) has the molecular formula C17H19F2NO2 and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid
PubChem CID11536839
Molecular FormulaC17H19F2NO2
Molecular Weight307.34 g/mol
Exact Mass307.14
IUPAC Name2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid
SMILESCCCC1(CC(=O)O)CCCc2c1[nH]c1cc(F)cc(F)c21
InChIInChI=1S/C17H19F2NO2/c1-2-5-17(9-14(21)22)6-3-4-11-15-12(19)7-10(18)8-13(15)20-16(11)17/h7-8,20H,2-6,9H2,1H3,(H,21,22)
InChIKeyAFDTUDKFSMWIAU-UHFFFAOYSA-N
XLogP4.30
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-1H-indole-3-acetic acid
CID 589107
2-(2,5-dimethyl-1H-indol-3-yl)acetic acid
CID 228477
AMG-076 free base
CID 10004545
3-[2-(2,5-dimethylphenyl)-1H-indol-5-yl]propanoic acid
CID 142738582
(2,7-Dimethyl-1H-indol-3-yl)-acetic acid
CID 228478
2-(5-isopropyl-2-methyl-1H-indol-3-yl)acetic acid
CID 2728451
3-[2-(4-fluoro-2-methylphenyl)-1H-indol-5-yl]propanoic acid
CID 164616580
3-[2-(2,4-dimethylphenyl)-1H-indol-5-yl]propanoic acid
CID 164617551
3-[2-(2,6-dimethylphenyl)-1H-indol-5-yl]propanoic acid
CID 164619456
2-[4-(2-methyl-1H-5-indolyl)phenyl]propanoic acid
CID 9838569
2-[2-phenyl-3-(2-phenylethyl)-1H-indol-5-yl]acetic acid
CID 9863468
2-[(1S,4R)-1,8-diethyl-4-prop-2-enyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid
CID 10449011

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid?
The IUPAC name of 2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid (CID 11536839) is 2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid?
The canonical SMILES for 2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid is CCCC1(CC(=O)O)CCCc2c1[nH]c1cc(F)cc(F)c21.
What is the InChIKey of 2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid?
The InChIKey is AFDTUDKFSMWIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO2/c1-2-5-17(9-14(21)22)6-3-4-11-15-12(19)7-10(18)8-13(15)20-16(11)17/h7-8,20H,2-6,9H2,1H3,(H,21,22).
What are the key properties of 2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid?
2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid has a molecular weight of 307.34 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-difluoro-1-propyl-2,3,4,9-tetrahydrocarbazol-1-yl)acetic acid is sourced from PubChem (CID 11536839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).