CID 102194577

C21H25F3NO — CID 102194577

IUPAC—
SMILESCC(C)(C)c1cc([N]c2ccccc2C(F)(F)F)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H25F3NO/c1-19(2,3)13-11-15(20(4,5)6)18(26)17(12-13)25-16-10-8-7-9-14(16)21(22,23)24/h7-12,26H,1-6H3
InChIKeyBYMNCMFBMLJZJO-UHFFFAOYSA-N
MW364.43 g/mol
LogP6.57
Rot. Bonds2

About CID 102194577

CID 102194577 (PubChem CID 102194577) has the molecular formula C21H25F3NO and a molecular weight of 364.43 g/mol.

Molecular Properties

Compound NameCID 102194577
PubChem CID102194577
Molecular FormulaC21H25F3NO
Molecular Weight364.43 g/mol
Exact Mass364.19
IUPAC Name—
SMILESCC(C)(C)c1cc([N]c2ccccc2C(F)(F)F)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H25F3NO/c1-19(2,3)13-11-15(20(4,5)6)18(26)17(12-13)25-16-10-8-7-9-14(16)21(22,23)24/h7-12,26H,1-6H3
InChIKeyBYMNCMFBMLJZJO-UHFFFAOYSA-N
XLogP6.57
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 102194577?
The IUPAC name of CID 102194577 (CID 102194577) is not available.
What is the SMILES notation for CID 102194577?
The canonical SMILES for CID 102194577 is CC(C)(C)c1cc([N]c2ccccc2C(F)(F)F)c(O)c(C(C)(C)C)c1.
What is the InChIKey of CID 102194577?
The InChIKey is BYMNCMFBMLJZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3NO/c1-19(2,3)13-11-15(20(4,5)6)18(26)17(12-13)25-16-10-8-7-9-14(16)21(22,23)24/h7-12,26H,1-6H3.
What are the key properties of CID 102194577?
CID 102194577 has a molecular weight of 364.43 g/mol, XLogP of 6.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102194577 is sourced from PubChem (CID 102194577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).