1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea

C10H17F3N2O — CID 112685104

IUPAC1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea
SMILESO=C(NCCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)6-7-14-9(16)15-8-4-2-1-3-5-8/h8H,1-7H2,(H2,14,15,16)
InChIKeyRTMCOIWIKGZDSQ-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.57
Rot. Bonds3

About 1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea

1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea (PubChem CID 112685104) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea
PubChem CID112685104
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea
SMILESO=C(NCCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)6-7-14-9(16)15-8-4-2-1-3-5-8/h8H,1-7H2,(H2,14,15,16)
InChIKeyRTMCOIWIKGZDSQ-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-Dicyclohexylurea
CID 4277
1-Cyclohexyl-3-methylurea
CID 308344
1-Cyclohexyl-3-isobutylurea
CID 4323939
1-Cycloheptyl-3-cyclohexylurea
CID 844674
N-Cyclohexyl-N'-heptylurea
CID 4089246
N-(Sec-butyl)-N'-cyclohexylurea
CID 4417023
1-Cyclohexyl-3-hexyl urea
CID 5151394
1-Tert-butyl-3-cyclohexylurea
CID 306672
1-Cyclohexyl-3-isopropylurea
CID 280348
1-Butyl-3-cyclohexylurea
CID 3613676
Urea, N'-cyclohexyl-N,N-dimethyl-
CID 4594662
1-Cyclohexyl-3-ethylurea
CID 5151398

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea (CID 112685104) is 1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea is O=C(NCCC(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea?
The InChIKey is RTMCOIWIKGZDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)6-7-14-9(16)15-8-4-2-1-3-5-8/h8H,1-7H2,(H2,14,15,16).
What are the key properties of 1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea?
1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea has a molecular weight of 238.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 112685104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).