[1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid

C16H13F4NO3 — CID 118340396

IUPAC[1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid
SMILESO=C(O)NC(c1ccc(F)cc1)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F4NO3/c17-12-6-4-9(5-7-12)13(21-15(23)24)14(22)10-2-1-3-11(8-10)16(18,19)20/h1-8,13-14,21-22H,(H,23,24)
InChIKeyVFUDPBHWJNXMAR-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.89
Rot. Bonds4

About [1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid

[1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid (PubChem CID 118340396) has the molecular formula C16H13F4NO3 and a molecular weight of 343.28 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid
PubChem CID118340396
Molecular FormulaC16H13F4NO3
Molecular Weight343.28 g/mol
Exact Mass343.08
IUPAC Name[1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid
SMILESO=C(O)NC(c1ccc(F)cc1)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F4NO3/c17-12-6-4-9(5-7-12)13(21-15(23)24)14(22)10-2-1-3-11(8-10)16(18,19)20/h1-8,13-14,21-22H,(H,23,24)
InChIKeyVFUDPBHWJNXMAR-UHFFFAOYSA-N
XLogP3.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 154867848
3,4-dihydroxy-4-[3-(trifluoromethyl)phenyl]butan-2-one
CID 71379717
4-hydroxy-2,3-dimethyl-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 79414458
[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105192836
2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 62396852
3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 138490004
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 18286971
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
3-(4-fluorophenyl)-3-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]propanoate
CID 22261948
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
2-(4-methylphenyl)-1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 118130027

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The IUPAC name of [1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid (CID 118340396) is [1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid.
What is the SMILES notation for [1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The canonical SMILES for [1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid is O=C(O)NC(c1ccc(F)cc1)C(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The InChIKey is VFUDPBHWJNXMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO3/c17-12-6-4-9(5-7-12)13(21-15(23)24)14(22)10-2-1-3-11(8-10)16(18,19)20/h1-8,13-14,21-22H,(H,23,24).
What are the key properties of [1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid?
[1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid has a molecular weight of 343.28 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid is sourced from PubChem (CID 118340396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).