CID 10177012

C10H18F2NaO2 — CID 10177012

IUPAC—
SMILESCCCC(CCCCC(F)F)C(=O)O.[Na]
InChIInChI=1S/C10H18F2O2.Na/c1-2-5-8(10(13)14)6-3-4-7-9(11)12;/h8-9H,2-7H2,1H3,(H,13,14);
InChIKeyJSLXFPKUWSGNQG-UHFFFAOYSA-N
MW231.24 g/mol
LogP2.93
Rot. Bonds8

About CID 10177012

CID 10177012 (PubChem CID 10177012) has the molecular formula C10H18F2NaO2 and a molecular weight of 231.24 g/mol.

Molecular Properties

Compound NameCID 10177012
PubChem CID10177012
Molecular FormulaC10H18F2NaO2
Molecular Weight231.24 g/mol
Exact Mass231.12
IUPAC Name—
SMILESCCCC(CCCCC(F)F)C(=O)O.[Na]
InChIInChI=1S/C10H18F2O2.Na/c1-2-5-8(10(13)14)6-3-4-7-9(11)12;/h8-9H,2-7H2,1H3,(H,13,14);
InChIKeyJSLXFPKUWSGNQG-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propylhexadecanoic acid
CID 10040360
2-propylheptadecanoic acid
CID 22251985
phosphane;2-propylhexanoic acid
CID 87429538
λ2-stannane;2-propylhexanoic acid
CID 174232814
7,7,7-trifluoro-2-propylheptanoic acid
CID 15512433
2-ethyl-6-propylheptanedioic acid
CID 154140899
2-dodecyloctacosanoic acid
CID 90897371
azane;2,7-dibutyloctanedioic acid
CID 174821009
(2S)-2-heptyldecanoic acid
CID 171991627
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-hexylpentacosanoic acid
CID 158257677

Frequently Asked Questions

What is the IUPAC name of CID 10177012?
The IUPAC name of CID 10177012 (CID 10177012) is not available.
What is the SMILES notation for CID 10177012?
The canonical SMILES for CID 10177012 is CCCC(CCCCC(F)F)C(=O)O.[Na].
What is the InChIKey of CID 10177012?
The InChIKey is JSLXFPKUWSGNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2.Na/c1-2-5-8(10(13)14)6-3-4-7-9(11)12;/h8-9H,2-7H2,1H3,(H,13,14);.
What are the key properties of CID 10177012?
CID 10177012 has a molecular weight of 231.24 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10177012 is sourced from PubChem (CID 10177012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).