2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane

C15H16F5N — CID 172905724

IUPAC2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane
SMILESFC(F)(F)c1ccc(CN2CCCC3(C2)CC3(F)F)cc1
InChIInChI=1S/C15H16F5N/c16-14(17)9-13(14)6-1-7-21(10-13)8-11-2-4-12(5-3-11)15(18,19)20/h2-5H,1,6-10H2
InChIKeyOMEMAYLKPKDYQJ-UHFFFAOYSA-N
MW305.29 g/mol
LogP4.33
Rot. Bonds2

About 2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane

2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane (PubChem CID 172905724) has the molecular formula C15H16F5N and a molecular weight of 305.29 g/mol. Its IUPAC name is 2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane
PubChem CID172905724
Molecular FormulaC15H16F5N
Molecular Weight305.29 g/mol
Exact Mass305.12
IUPAC Name2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane
SMILESFC(F)(F)c1ccc(CN2CCCC3(C2)CC3(F)F)cc1
InChIInChI=1S/C15H16F5N/c16-14(17)9-13(14)6-1-7-21(10-13)8-11-2-4-12(5-3-11)15(18,19)20/h2-5H,1,6-10H2
InChIKeyOMEMAYLKPKDYQJ-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane
CID 175649184
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504
2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane
CID 175648534
N,4-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 115304018
8-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155849856
1-(2-chloroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 63386669
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole
CID 141472105
3,3-dipropyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one
CID 177016837
7-ethylsulfonyl-2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.4]octane
CID 97392727
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
1-piperidin-1-ylsulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 78843482
4-piperidin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 27267003

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane (CID 172905724) is 2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane is FC(F)(F)c1ccc(CN2CCCC3(C2)CC3(F)F)cc1.
What is the InChIKey of 2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane?
The InChIKey is OMEMAYLKPKDYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F5N/c16-14(17)9-13(14)6-1-7-21(10-13)8-11-2-4-12(5-3-11)15(18,19)20/h2-5H,1,6-10H2.
What are the key properties of 2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane?
2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane has a molecular weight of 305.29 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octane is sourced from PubChem (CID 172905724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).