CID 176776135

C15H23F2N — CID 176776135

IUPAC—
SMILES[2H]C([2H])(C(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+/m0/s1/i7D2
InChIKeyCLITTWKVDRZCPT-ZHNFOSDWSA-N
MW257.36 g/mol
LogP3.69
Rot. Bonds2

About CID 176776135

CID 176776135 (PubChem CID 176776135) has the molecular formula C15H23F2N and a molecular weight of 257.36 g/mol.

Molecular Properties

Compound NameCID 176776135
PubChem CID176776135
Molecular FormulaC15H23F2N
Molecular Weight257.36 g/mol
Exact Mass257.19
IUPAC Name—
SMILES[2H]C([2H])(C(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+/m0/s1/i7D2
InChIKeyCLITTWKVDRZCPT-ZHNFOSDWSA-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 ≤ 500257.36
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 176776135?
The IUPAC name of CID 176776135 (CID 176776135) is not available.
What is the SMILES notation for CID 176776135?
The canonical SMILES for CID 176776135 is [2H]C([2H])(C(C)C)[C@]12C[C@@]3(CN1CCC21CC1)CC3(F)F.
What is the InChIKey of CID 176776135?
The InChIKey is CLITTWKVDRZCPT-ZHNFOSDWSA-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+/m0/s1/i7D2.
What are the key properties of CID 176776135?
CID 176776135 has a molecular weight of 257.36 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 176776135 is sourced from PubChem (CID 176776135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).