CID 69468799

C10H15FLiO — CID 69468799

IUPAC—
SMILESFOC12CC3CC(CC(C3)C1)C2.[Li]
InChIInChI=1S/C10H15FO.Li/c11-12-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6H2;
InChIKeyPEWOSQUDAZNCFU-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.48
Rot. Bonds1

About CID 69468799

CID 69468799 (PubChem CID 69468799) has the molecular formula C10H15FLiO and a molecular weight of 177.17 g/mol.

Molecular Properties

Compound NameCID 69468799
PubChem CID69468799
Molecular FormulaC10H15FLiO
Molecular Weight177.17 g/mol
Exact Mass177.13
IUPAC Name—
SMILESFOC12CC3CC(CC(C3)C1)C2.[Li]
InChIInChI=1S/C10H15FO.Li/c11-12-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6H2;
InChIKeyPEWOSQUDAZNCFU-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Adamantanol
CID 64152
1-Adamantyl fluoroformate
CID 64433
1-Methoxyadamantane
CID 584854
3-Fluoroadamantan-1-ol
CID 13448360
O-(Adamantan-1-yl)hydroxylamine
CID 20319707
3,5-Difluoroadamantan-1-ol
CID 20574223
Monofluoroadamantanol
CID 69005014
1-Ethynoxyadamantane
CID 13813111
Adamantan-1-ol trifluoromethyl ether
CID 129748192
4-Fluoroadamantan-1-ol
CID 154339242
Difluoroadamantanol
CID 155801706
1-Adamantylhydroperoxide
CID 14509062

Frequently Asked Questions

What is the IUPAC name of CID 69468799?
The IUPAC name of CID 69468799 (CID 69468799) is not available.
What is the SMILES notation for CID 69468799?
The canonical SMILES for CID 69468799 is FOC12CC3CC(CC(C3)C1)C2.[Li].
What is the InChIKey of CID 69468799?
The InChIKey is PEWOSQUDAZNCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO.Li/c11-12-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6H2;.
What are the key properties of CID 69468799?
CID 69468799 has a molecular weight of 177.17 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69468799 is sourced from PubChem (CID 69468799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).