7,7-difluorospiro[3.5]nonane-2-carboxylic acid

C10H14F2O2 — CID 130671204

IUPAC7,7-difluorospiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1CC2(CCC(F)(F)CC2)C1
InChIInChI=1S/C10H14F2O2/c11-10(12)3-1-9(2-4-10)5-7(6-9)8(13)14/h7H,1-6H2,(H,13,14)
InChIKeyFVXSDPOUOFWADR-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.68
Rot. Bonds1

About 7,7-difluorospiro[3.5]nonane-2-carboxylic acid

7,7-difluorospiro[3.5]nonane-2-carboxylic acid (PubChem CID 130671204) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is 7,7-difluorospiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name7,7-difluorospiro[3.5]nonane-2-carboxylic acid
PubChem CID130671204
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name7,7-difluorospiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1CC2(CCC(F)(F)CC2)C1
InChIInChI=1S/C10H14F2O2/c11-10(12)3-1-9(2-4-10)5-7(6-9)8(13)14/h7H,1-6H2,(H,13,14)
InChIKeyFVXSDPOUOFWADR-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2779136
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CID 57134313
4-(Tridecafluorohexyl)cyclohexane-1-carboxylic acid
CID 57180877
4-(Undecafluoropentyl)cyclohexane-1-carboxylic acid
CID 57209518
2-(4,4-Difluorocyclohexyl)acetic acid
CID 53420743
3,5-Bis(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 2727679
2-Cyclohexyl-2,2-difluoroacetic acid
CID 23365713
3-(Trifluoromethyl)cyclohexane-1-carboxylic acid
CID 13642468
Spiro(3.5)nonane-2-carboxylic acid
CID 65007002
(1r,4r)-4-(Nonafluorobutyl)cyclohexane-1-carboxylic acid
CID 57220994
Nonanoic acid, 9-(2,2,3,3-tetrafluorocyclobutyl)-
CID 58986

Frequently Asked Questions

What is the IUPAC name of 7,7-difluorospiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 7,7-difluorospiro[3.5]nonane-2-carboxylic acid (CID 130671204) is 7,7-difluorospiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 7,7-difluorospiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 7,7-difluorospiro[3.5]nonane-2-carboxylic acid is O=C(O)C1CC2(CCC(F)(F)CC2)C1.
What is the InChIKey of 7,7-difluorospiro[3.5]nonane-2-carboxylic acid?
The InChIKey is FVXSDPOUOFWADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O2/c11-10(12)3-1-9(2-4-10)5-7(6-9)8(13)14/h7H,1-6H2,(H,13,14).
What are the key properties of 7,7-difluorospiro[3.5]nonane-2-carboxylic acid?
7,7-difluorospiro[3.5]nonane-2-carboxylic acid has a molecular weight of 204.22 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluorospiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 130671204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).