1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea

C13H16F4N2O — CID 97087860

IUPAC1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea
SMILESC[C@H](Cc1ccccc1F)NC(=O)NCCC(F)(F)F
InChIInChI=1S/C13H16F4N2O/c1-9(8-10-4-2-3-5-11(10)14)19-12(20)18-7-6-13(15,16)17/h2-5,9H,6-8H2,1H3,(H2,18,19,20)/t9-/m1/s1
InChIKeyKIENZPGYCVOPPQ-SECBINFHSA-N
MW292.28 g/mol
LogP3.01
Rot. Bonds5

About 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea

1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea (PubChem CID 97087860) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea
PubChem CID97087860
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea
SMILESC[C@H](Cc1ccccc1F)NC(=O)NCCC(F)(F)F
InChIInChI=1S/C13H16F4N2O/c1-9(8-10-4-2-3-5-11(10)14)19-12(20)18-7-6-13(15,16)17/h2-5,9H,6-8H2,1H3,(H2,18,19,20)/t9-/m1/s1
InChIKeyKIENZPGYCVOPPQ-SECBINFHSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111505163
1-[1-(2-fluorophenyl)propan-2-yl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111505160
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
1-[1-(2,6-difluorophenyl)propan-2-yl]-3-(4,4,4-trifluoro-3-hydroxybutyl)urea
CID 56793700
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 110024617
4-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoylamino]butanoic acid
CID 122009480
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 97087853
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 97087851
3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide
CID 114829658
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
N-[2-[[(2R)-1-(2-bromophenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97087836

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea (CID 97087860) is 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea is C[C@H](Cc1ccccc1F)NC(=O)NCCC(F)(F)F.
What is the InChIKey of 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea?
The InChIKey is KIENZPGYCVOPPQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-9(8-10-4-2-3-5-11(10)14)19-12(20)18-7-6-13(15,16)17/h2-5,9H,6-8H2,1H3,(H2,18,19,20)/t9-/m1/s1.
What are the key properties of 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea?
1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea has a molecular weight of 292.28 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 97087860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).