1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea

C18H25FN2O3 — CID 97077585

IUPAC1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
SMILESO=C(Nc1cccc(OCCF)c1)N[C@H]1CCOC2(CCCC2)C1
InChIInChI=1S/C18H25FN2O3/c19-9-11-23-16-5-3-4-14(12-16)20-17(22)21-15-6-10-24-18(13-15)7-1-2-8-18/h3-5,12,15H,1-2,6-11,13H2,(H2,20,21,22)/t15-/m0/s1
InChIKeyBZHQEXKLWBURMJ-HNNXBMFYSA-N
MW336.41 g/mol
LogP3.65
Rot. Bonds5

About 1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea

1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea (PubChem CID 97077585) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea.

Molecular Properties

Compound Name1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
PubChem CID97077585
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
SMILESO=C(Nc1cccc(OCCF)c1)N[C@H]1CCOC2(CCCC2)C1
InChIInChI=1S/C18H25FN2O3/c19-9-11-23-16-5-3-4-14(12-16)20-17(22)21-15-6-10-24-18(13-15)7-1-2-8-18/h3-5,12,15H,1-2,6-11,13H2,(H2,20,21,22)/t15-/m0/s1
InChIKeyBZHQEXKLWBURMJ-HNNXBMFYSA-N
XLogP3.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
CID 71915144
1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-(4-phenoxybutyl)urea
CID 98559377
1-(3-chlorophenyl)-3-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]urea
CID 96579890
N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride
CID 130015965
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517303
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-phenoxybutanamide
CID 90651583
1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
CID 97077216
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
1-[3-(aminomethyl)phenyl]-3-(2,2-dimethyloxan-4-yl)urea
CID 83028430
1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124617715

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
The IUPAC name of 1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea (CID 97077585) is 1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea.
What is the SMILES notation for 1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
The canonical SMILES for 1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea is O=C(Nc1cccc(OCCF)c1)N[C@H]1CCOC2(CCCC2)C1.
What is the InChIKey of 1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
The InChIKey is BZHQEXKLWBURMJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c19-9-11-23-16-5-3-4-14(12-16)20-17(22)21-15-6-10-24-18(13-15)7-1-2-8-18/h3-5,12,15H,1-2,6-11,13H2,(H2,20,21,22)/t15-/m0/s1.
What are the key properties of 1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea?
1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea has a molecular weight of 336.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoroethoxy)phenyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea is sourced from PubChem (CID 97077585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).