CID 176776495

C15H23F2N — CID 176776495

IUPAC—
SMILESCC(C)C[C@]12C[C@]3(CN1CCC21CC1)CC3(F)F
InChIInChI=1S/C15H23F2N/c1-11(2)7-14-8-13(9-15(13,16)17)10-18(14)6-5-12(14)3-4-12/h11H,3-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyCLITTWKVDRZCPT-ZIAGYGMSSA-N
MW255.35 g/mol
LogP3.69
Rot. Bonds2

About CID 176776495

CID 176776495 (PubChem CID 176776495) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol.

Molecular Properties

Compound NameCID 176776495
PubChem CID176776495
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name—
SMILESCC(C)C[C@]12C[C@]3(CN1CCC21CC1)CC3(F)F
InChIInChI=1S/C15H23F2N/c1-11(2)7-14-8-13(9-15(13,16)17)10-18(14)6-5-12(14)3-4-12/h11H,3-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyCLITTWKVDRZCPT-ZIAGYGMSSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 176776495?
The IUPAC name of CID 176776495 (CID 176776495) is not available.
What is the SMILES notation for CID 176776495?
The canonical SMILES for CID 176776495 is CC(C)C[C@]12C[C@]3(CN1CCC21CC1)CC3(F)F.
What is the InChIKey of CID 176776495?
The InChIKey is CLITTWKVDRZCPT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H23F2N/c1-11(2)7-14-8-13(9-15(13,16)17)10-18(14)6-5-12(14)3-4-12/h11H,3-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of CID 176776495?
CID 176776495 has a molecular weight of 255.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176776495 is sourced from PubChem (CID 176776495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).