sodium;butane;1,2,2-trifluoroadamantane;fluoride

C14H23F4Na — CID 175275644

IUPACsodium;butane;1,2,2-trifluoroadamantane;fluoride
SMILESCCCC.FC12CC3CC(CC(C3)C1(F)F)C2.[F-].[Na+]
InChIInChI=1S/C10H13F3.C4H10.FH.Na/c11-9-4-6-1-7(5-9)3-8(2-6)10(9,12)13;1-3-4-2;;/h6-8H,1-5H2;3-4H2,1-2H3;1H;/q;;;+1/p-1
InChIKeySFQCXKLKYVXSKM-UHFFFAOYSA-M
MW290.32 g/mol
LogP-1.02
Rot. Bonds1

About sodium;butane;1,2,2-trifluoroadamantane;fluoride

sodium;butane;1,2,2-trifluoroadamantane;fluoride (PubChem CID 175275644) has the molecular formula C14H23F4Na and a molecular weight of 290.32 g/mol. Its IUPAC name is sodium;butane;1,2,2-trifluoroadamantane;fluoride.

Molecular Properties

Compound Namesodium;butane;1,2,2-trifluoroadamantane;fluoride
PubChem CID175275644
Molecular FormulaC14H23F4Na
Molecular Weight290.32 g/mol
Exact Mass290.16
IUPAC Namesodium;butane;1,2,2-trifluoroadamantane;fluoride
SMILESCCCC.FC12CC3CC(CC(C3)C1(F)F)C2.[F-].[Na+]
InChIInChI=1S/C10H13F3.C4H10.FH.Na/c11-9-4-6-1-7(5-9)3-8(2-6)10(9,12)13;1-3-4-2;;/h6-8H,1-5H2;3-4H2,1-2H3;1H;/q;;;+1/p-1
InChIKeySFQCXKLKYVXSKM-UHFFFAOYSA-M
XLogP-1.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of sodium;butane;1,2,2-trifluoroadamantane;fluoride?
The IUPAC name of sodium;butane;1,2,2-trifluoroadamantane;fluoride (CID 175275644) is sodium;butane;1,2,2-trifluoroadamantane;fluoride.
What is the SMILES notation for sodium;butane;1,2,2-trifluoroadamantane;fluoride?
The canonical SMILES for sodium;butane;1,2,2-trifluoroadamantane;fluoride is CCCC.FC12CC3CC(CC(C3)C1(F)F)C2.[F-].[Na+].
What is the InChIKey of sodium;butane;1,2,2-trifluoroadamantane;fluoride?
The InChIKey is SFQCXKLKYVXSKM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13F3.C4H10.FH.Na/c11-9-4-6-1-7(5-9)3-8(2-6)10(9,12)13;1-3-4-2;;/h6-8H,1-5H2;3-4H2,1-2H3;1H;/q;;;+1/p-1.
What are the key properties of sodium;butane;1,2,2-trifluoroadamantane;fluoride?
sodium;butane;1,2,2-trifluoroadamantane;fluoride has a molecular weight of 290.32 g/mol, XLogP of -1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;butane;1,2,2-trifluoroadamantane;fluoride is sourced from PubChem (CID 175275644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).