1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea

C18H17F3N2O2 — CID 10315849

IUPAC1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)12-4-2-5-13(9-12)22-17(25)23-16-6-1-3-11-7-8-14(24)10-15(11)16/h1-6,9,14,24H,7-8,10H2,(H2,22,23,25)
InChIKeyRFPNPBOAGUSKSM-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.20
Rot. Bonds2

About 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 10315849) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID10315849
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)12-4-2-5-13(9-12)22-17(25)23-16-6-1-3-11-7-8-14(24)10-15(11)16/h1-6,9,14,24H,7-8,10H2,(H2,22,23,25)
InChIKeyRFPNPBOAGUSKSM-UHFFFAOYSA-N
XLogP4.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 10315849) is 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2c1CC(O)CC2.
What is the InChIKey of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is RFPNPBOAGUSKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)12-4-2-5-13(9-12)22-17(25)23-16-6-1-3-11-7-8-14(24)10-15(11)16/h1-6,9,14,24H,7-8,10H2,(H2,22,23,25).
What are the key properties of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 350.34 g/mol, XLogP of 4.20, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 10315849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).