(5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane

C19H26F4N2 — CID 42461609

IUPAC(5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane
SMILESFc1ccccc1CN1CCC[C@@]2(CCN(CCCC(F)(F)F)C2)C1
InChIInChI=1S/C19H26F4N2/c20-17-6-2-1-5-16(17)13-25-11-3-7-18(15-25)9-12-24(14-18)10-4-8-19(21,22)23/h1-2,5-6H,3-4,7-15H2/t18-/m0/s1
InChIKeyYKHDXPZUHKWDLF-SFHVURJKSA-N
MW358.42 g/mol
LogP4.46
Rot. Bonds5

About (5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane

(5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane (PubChem CID 42461609) has the molecular formula C19H26F4N2 and a molecular weight of 358.42 g/mol. Its IUPAC name is (5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane
PubChem CID42461609
Molecular FormulaC19H26F4N2
Molecular Weight358.42 g/mol
Exact Mass358.20
IUPAC Name(5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane
SMILESFc1ccccc1CN1CCC[C@@]2(CCN(CCCC(F)(F)F)C2)C1
InChIInChI=1S/C19H26F4N2/c20-17-6-2-1-5-16(17)13-25-11-3-7-18(15-25)9-12-24(14-18)10-4-8-19(21,22)23/h1-2,5-6H,3-4,7-15H2/t18-/m0/s1
InChIKeyYKHDXPZUHKWDLF-SFHVURJKSA-N
XLogP4.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
CID 45230882
(5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 42593843
2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 56710646
3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide
CID 119071698
1-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3,3,3-trifluoropropan-1-one
CID 25386653
methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate
CID 45221496
7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909547
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
9-[(2,3-difluorophenyl)methyl]-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45206611
[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25450891
2-[[2-(difluoromethoxy)phenyl]methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
CID 45213726
3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 26395243

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane (CID 42461609) is (5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane is Fc1ccccc1CN1CCC[C@@]2(CCN(CCCC(F)(F)F)C2)C1.
What is the InChIKey of (5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane?
The InChIKey is YKHDXPZUHKWDLF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26F4N2/c20-17-6-2-1-5-16(17)13-25-11-3-7-18(15-25)9-12-24(14-18)10-4-8-19(21,22)23/h1-2,5-6H,3-4,7-15H2/t18-/m0/s1.
What are the key properties of (5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane?
(5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane has a molecular weight of 358.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 42461609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).