1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid

C13H13FO2 — CID 117314000

IUPAC1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc3c(cc2F)CCC3)CC1
InChIInChI=1S/C13H13FO2/c14-11-7-9-3-1-2-8(9)6-10(11)13(4-5-13)12(15)16/h6-7H,1-5H2,(H,15,16)
InChIKeyUUMPSFSXFSYDDE-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.43
Rot. Bonds2

About 1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid

1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 117314000) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid
PubChem CID117314000
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc3c(cc2F)CCC3)CC1
InChIInChI=1S/C13H13FO2/c14-11-7-9-3-1-2-8(9)6-10(11)13(4-5-13)12(15)16/h6-7H,1-5H2,(H,15,16)
InChIKeyUUMPSFSXFSYDDE-UHFFFAOYSA-N
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117304967
1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117324946
1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84794005
1-(6-fluoro-4H-1,3-benzodioxin-7-yl)cyclopentane-1-carboxylic acid
CID 117419384
1-(4-chloro-2,5-difluorophenyl)cyclohexane-1-carboxylic acid
CID 117439170
1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117302547
1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117443504
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881
1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150
5-(1-carboxycyclobutyl)-4-fluoro-2-methylbenzoic acid
CID 117383281
1-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 83412485
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 117438016

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid (CID 117314000) is 1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc3c(cc2F)CCC3)CC1.
What is the InChIKey of 1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is UUMPSFSXFSYDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c14-11-7-9-3-1-2-8(9)6-10(11)13(4-5-13)12(15)16/h6-7H,1-5H2,(H,15,16).
What are the key properties of 1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid?
1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 220.24 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117314000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).