CID 176962041

C14H26F3O — CID 176962041

IUPAC—
SMILESCC.CC.OCC1CC1.[CH]=C=CCCC(F)(F)F
InChIInChI=1S/C6H6F3.C4H8O.2C2H6/c1-2-3-4-5-6(7,8)9;5-3-4-1-2-4;2*1-2/h1,3H,4-5H2;4-5H,1-3H2;2*1-2H3
InChIKeySIDHGAKIGDDZMQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.91
Rot. Bonds3

About CID 176962041

CID 176962041 (PubChem CID 176962041) has the molecular formula C14H26F3O and a molecular weight of 267.35 g/mol.

Molecular Properties

Compound NameCID 176962041
PubChem CID176962041
Molecular FormulaC14H26F3O
Molecular Weight267.35 g/mol
Exact Mass267.19
IUPAC Name—
SMILESCC.CC.OCC1CC1.[CH]=C=CCCC(F)(F)F
InChIInChI=1S/C6H6F3.C4H8O.2C2H6/c1-2-3-4-5-6(7,8)9;5-3-4-1-2-4;2*1-2/h1,3H,4-5H2;4-5H,1-3H2;2*1-2H3
InChIKeySIDHGAKIGDDZMQ-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze CID 176962041 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 176962041?
The IUPAC name of CID 176962041 (CID 176962041) is not available.
What is the SMILES notation for CID 176962041?
The canonical SMILES for CID 176962041 is CC.CC.OCC1CC1.[CH]=C=CCCC(F)(F)F.
What is the InChIKey of CID 176962041?
The InChIKey is SIDHGAKIGDDZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3.C4H8O.2C2H6/c1-2-3-4-5-6(7,8)9;5-3-4-1-2-4;2*1-2/h1,3H,4-5H2;4-5H,1-3H2;2*1-2H3.
What are the key properties of CID 176962041?
CID 176962041 has a molecular weight of 267.35 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176962041 is sourced from PubChem (CID 176962041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).