1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea

C10H21FN2O2 — CID 110007196

IUPAC1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)NCCCF
InChIInChI=1S/C10H21FN2O2/c1-8(2)6-9(7-14)13-10(15)12-5-3-4-11/h8-9,14H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyFBWLDWDWLHXDDQ-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.05
Rot. Bonds7

About 1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea

1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea (PubChem CID 110007196) has the molecular formula C10H21FN2O2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
PubChem CID110007196
Molecular FormulaC10H21FN2O2
Molecular Weight220.29 g/mol
Exact Mass220.16
IUPAC Name1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
SMILESCC(C)CC(CO)NC(=O)NCCCF
InChIInChI=1S/C10H21FN2O2/c1-8(2)6-9(7-14)13-10(15)12-5-3-4-11/h8-9,14H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyFBWLDWDWLHXDDQ-UHFFFAOYSA-N
XLogP1.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-[(1R)-1-(hydroxymethyl)propyl]urea
CID 72196936
1-(4,4-difluorocyclohexyl)-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]urea
CID 124286887
N-(1-hydroxy-2,2,4-trimethylpent-3-yl)urea
CID 129797237
1-(1-Cyclopentyl-2,2,2-trifluoroethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-YL]urea
CID 86800127
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 99620722
1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 99620723
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 99621484
1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 99621485
1-[(2S)-1-hydroxybutan-2-yl]-3-(3,3,3-trifluoro-2,2-dimethylpropyl)urea
CID 100745843
1-(1-Hydroxy-4-methylpentan-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 103710065
1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea
CID 103736173
1-(5-Hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethyl)urea
CID 103859162

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The IUPAC name of 1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea (CID 110007196) is 1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea.
What is the SMILES notation for 1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The canonical SMILES for 1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea is CC(C)CC(CO)NC(=O)NCCCF.
What is the InChIKey of 1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
The InChIKey is FBWLDWDWLHXDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2/c1-8(2)6-9(7-14)13-10(15)12-5-3-4-11/h8-9,14H,3-7H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea?
1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea has a molecular weight of 220.29 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea is sourced from PubChem (CID 110007196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).