CID 171575890

C11H19F3NO — CID 171575890

IUPAC—
SMILESCC1(C)CCC(C)(CCCC(F)(F)F)N1[O]
InChIInChI=1S/C11H19F3NO/c1-9(2)7-8-10(3,15(9)16)5-4-6-11(12,13)14/h4-8H2,1-3H3
InChIKeyNCVUZGWWWVCRFG-UHFFFAOYSA-N
MW238.27 g/mol
LogP3.70
Rot. Bonds3

About CID 171575890

CID 171575890 (PubChem CID 171575890) has the molecular formula C11H19F3NO and a molecular weight of 238.27 g/mol.

Molecular Properties

Compound NameCID 171575890
PubChem CID171575890
Molecular FormulaC11H19F3NO
Molecular Weight238.27 g/mol
Exact Mass238.14
IUPAC Name—
SMILESCC1(C)CCC(C)(CCCC(F)(F)F)N1[O]
InChIInChI=1S/C11H19F3NO/c1-9(2)7-8-10(3,15(9)16)5-4-6-11(12,13)14/h4-8H2,1-3H3
InChIKeyNCVUZGWWWVCRFG-UHFFFAOYSA-N
XLogP3.70
TPSA23.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 171575890?
The IUPAC name of CID 171575890 (CID 171575890) is not available.
What is the SMILES notation for CID 171575890?
The canonical SMILES for CID 171575890 is CC1(C)CCC(C)(CCCC(F)(F)F)N1[O].
What is the InChIKey of CID 171575890?
The InChIKey is NCVUZGWWWVCRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3NO/c1-9(2)7-8-10(3,15(9)16)5-4-6-11(12,13)14/h4-8H2,1-3H3.
What are the key properties of CID 171575890?
CID 171575890 has a molecular weight of 238.27 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171575890 is sourced from PubChem (CID 171575890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).