1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea

C13H22F2N2O2 — CID 164641535

IUPAC1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea
SMILESO=C(NCC[C@@H]1CCCC[C@@H]1O)NC1CC(F)(F)C1
InChIInChI=1S/C13H22F2N2O2/c14-13(15)7-10(8-13)17-12(19)16-6-5-9-3-1-2-4-11(9)18/h9-11,18H,1-8H2,(H2,16,17,19)/t9-,11-/m0/s1
InChIKeyFBCHZCMSIAYGJA-ONGXEEELSA-N
MW276.33 g/mol
LogP2.02
Rot. Bonds4

About 1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea

1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea (PubChem CID 164641535) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea
PubChem CID164641535
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea
SMILESO=C(NCC[C@@H]1CCCC[C@@H]1O)NC1CC(F)(F)C1
InChIInChI=1S/C13H22F2N2O2/c14-13(15)7-10(8-13)17-12(19)16-6-5-9-3-1-2-4-11(9)18/h9-11,18H,1-8H2,(H2,16,17,19)/t9-,11-/m0/s1
InChIKeyFBCHZCMSIAYGJA-ONGXEEELSA-N
XLogP2.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea (CID 164641535) is 1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea is O=C(NCC[C@@H]1CCCC[C@@H]1O)NC1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea?
The InChIKey is FBCHZCMSIAYGJA-ONGXEEELSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c14-13(15)7-10(8-13)17-12(19)16-6-5-9-3-1-2-4-11(9)18/h9-11,18H,1-8H2,(H2,16,17,19)/t9-,11-/m0/s1.
What are the key properties of 1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea?
1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea has a molecular weight of 276.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-3-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]urea is sourced from PubChem (CID 164641535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).