1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane

C16H20F4N2 — CID 134072675

IUPAC1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane
SMILESFc1ccc(CN2CCC23CCN(CCC(F)(F)F)C3)cc1
InChIInChI=1S/C16H20F4N2/c17-14-3-1-13(2-4-14)11-22-10-6-15(22)5-8-21(12-15)9-7-16(18,19)20/h1-4H,5-12H2
InChIKeySJAOPIRLNUBYMF-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.43
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane

1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane (PubChem CID 134072675) has the molecular formula C16H20F4N2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane
PubChem CID134072675
Molecular FormulaC16H20F4N2
Molecular Weight316.34 g/mol
Exact Mass316.16
IUPAC Name1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane
SMILESFc1ccc(CN2CCC23CCN(CCC(F)(F)F)C3)cc1
InChIInChI=1S/C16H20F4N2/c17-14-3-1-13(2-4-14)11-22-10-6-15(22)5-8-21(12-15)9-7-16(18,19)20/h1-4H,5-12H2
InChIKeySJAOPIRLNUBYMF-UHFFFAOYSA-N
XLogP3.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane
CID 134072680
1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane
CID 134079041
1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane
CID 97409300
1-[(4-fluorophenyl)methyl]-7-(1H-pyrazol-5-ylmethyl)-1,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155856367
1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
CID 131660553
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372598
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 155869530
2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154885864
(4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane
CID 148987341

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane (CID 134072675) is 1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane is Fc1ccc(CN2CCC23CCN(CCC(F)(F)F)C3)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane?
The InChIKey is SJAOPIRLNUBYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N2/c17-14-3-1-13(2-4-14)11-22-10-6-15(22)5-8-21(12-15)9-7-16(18,19)20/h1-4H,5-12H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane?
1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane has a molecular weight of 316.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 134072675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).