2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid

C16H19FO2 — CID 65006564

IUPAC2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1(c2cccc(F)c2)CC2(CCCCC2)C1
InChIInChI=1S/C16H19FO2/c17-13-6-4-5-12(9-13)16(14(18)19)10-15(11-16)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10-11H2,(H,18,19)
InChIKeySKHBFOABGUXPAP-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.89
Rot. Bonds2

About 2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid

2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid (PubChem CID 65006564) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid
PubChem CID65006564
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1(c2cccc(F)c2)CC2(CCCCC2)C1
InChIInChI=1S/C16H19FO2/c17-13-6-4-5-12(9-13)16(14(18)19)10-15(11-16)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10-11H2,(H,18,19)
InChIKeySKHBFOABGUXPAP-UHFFFAOYSA-N
XLogP3.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008380
4-(3-fluorophenyl)-1,1-dioxothiane-4-carboxylic acid
CID 146681784
2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009647
2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile
CID 65003209
1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117379310
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid
CID 68973973
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
(2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol
CID 143134266
[3-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxy-2-oxopropyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 3976420
2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
CID 65006156
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid (CID 65006564) is 2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid is O=C(O)C1(c2cccc(F)c2)CC2(CCCCC2)C1.
What is the InChIKey of 2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid?
The InChIKey is SKHBFOABGUXPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2/c17-13-6-4-5-12(9-13)16(14(18)19)10-15(11-16)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10-11H2,(H,18,19).
What are the key properties of 2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid?
2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid has a molecular weight of 262.32 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 65006564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).