10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane

C16H22ClFN2 — CID 102620775

IUPAC10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
SMILESFc1ccc(Cl)c(CN2CCCNC3(CCCC3)C2)c1
InChIInChI=1S/C16H22ClFN2/c17-15-5-4-14(18)10-13(15)11-20-9-3-8-19-16(12-20)6-1-2-7-16/h4-5,10,19H,1-3,6-9,11-12H2
InChIKeyUMDODUAGEKCOLM-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.59
Rot. Bonds2

About 10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane

10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane (PubChem CID 102620775) has the molecular formula C16H22ClFN2 and a molecular weight of 296.82 g/mol. Its IUPAC name is 10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
PubChem CID102620775
Molecular FormulaC16H22ClFN2
Molecular Weight296.82 g/mol
Exact Mass296.15
IUPAC Name10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
SMILESFc1ccc(Cl)c(CN2CCCNC3(CCCC3)C2)c1
InChIInChI=1S/C16H22ClFN2/c17-15-5-4-14(18)10-13(15)11-20-9-3-8-19-16(12-20)6-1-2-7-16/h4-5,10,19H,1-3,6-9,11-12H2
InChIKeyUMDODUAGEKCOLM-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 114349619
(5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane
CID 97305383
10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 107310531
11-[(2-chloro-4-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 106870402
2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120966877
10-[(2,6-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64870099
10-[(2,3-difluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869501
11-[(2,6-dichlorophenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64859040
9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952975
1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964608
10-[(4-bromophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869301
(4R,5R)-7-[(2-chloro-5-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135091609

Frequently Asked Questions

What is the IUPAC name of 10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane (CID 102620775) is 10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane is Fc1ccc(Cl)c(CN2CCCNC3(CCCC3)C2)c1.
What is the InChIKey of 10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane?
The InChIKey is UMDODUAGEKCOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2/c17-15-5-4-14(18)10-13(15)11-20-9-3-8-19-16(12-20)6-1-2-7-16/h4-5,10,19H,1-3,6-9,11-12H2.
What are the key properties of 10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane?
10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane has a molecular weight of 296.82 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 102620775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).