1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea

C16H13F5N2O2 — CID 95368355

IUPAC1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)Nc1c(F)cccc1F
InChIInChI=1S/C16H13F5N2O2/c17-11-2-1-3-12(18)14(11)23-15(25)22-8-13(24)9-4-6-10(7-5-9)16(19,20)21/h1-7,13,24H,8H2,(H2,22,23,25)/t13-/m0/s1
InChIKeyTVWWZUMYHUNESB-ZDUSSCGKSA-N
MW360.28 g/mol
LogP3.84
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea

1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 95368355) has the molecular formula C16H13F5N2O2 and a molecular weight of 360.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID95368355
Molecular FormulaC16H13F5N2O2
Molecular Weight360.28 g/mol
Exact Mass360.09
IUPAC Name1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)Nc1c(F)cccc1F
InChIInChI=1S/C16H13F5N2O2/c17-11-2-1-3-12(18)14(11)23-15(25)22-8-13(24)9-4-6-10(7-5-9)16(19,20)21/h1-7,13,24H,8H2,(H2,22,23,25)/t13-/m0/s1
InChIKeyTVWWZUMYHUNESB-ZDUSSCGKSA-N
XLogP3.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890491
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111298
N'-(2-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534882
1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 56765522
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 90500402
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
1-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95368354
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 110908500
1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 71781655

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 95368355) is 1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea is O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is TVWWZUMYHUNESB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13F5N2O2/c17-11-2-1-3-12(18)14(11)23-15(25)22-8-13(24)9-4-6-10(7-5-9)16(19,20)21/h1-7,13,24H,8H2,(H2,22,23,25)/t13-/m0/s1.
What are the key properties of 1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 360.28 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 95368355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).