N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide

C11H17F2NO3 — CID 164636822

IUPACN-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide
SMILESO=C(N[C@@H]1CCCC(F)(F)[C@H]1O)C1(O)CCC1
InChIInChI=1S/C11H17F2NO3/c12-11(13)6-1-3-7(8(11)15)14-9(16)10(17)4-2-5-10/h7-8,15,17H,1-6H2,(H,14,16)/t7-,8+/m1/s1
InChIKeyPQNUOVNYFCATNM-SFYZADRCSA-N
MW249.26 g/mol
LogP0.57
Rot. Bonds2

About N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide

N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide (PubChem CID 164636822) has the molecular formula C11H17F2NO3 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide
PubChem CID164636822
Molecular FormulaC11H17F2NO3
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC NameN-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide
SMILESO=C(N[C@@H]1CCCC(F)(F)[C@H]1O)C1(O)CCC1
InChIInChI=1S/C11H17F2NO3/c12-11(13)6-1-3-7(8(11)15)14-9(16)10(17)4-2-5-10/h7-8,15,17H,1-6H2,(H,14,16)/t7-,8+/m1/s1
InChIKeyPQNUOVNYFCATNM-SFYZADRCSA-N
XLogP0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide?
The IUPAC name of N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide (CID 164636822) is N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide?
The canonical SMILES for N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide is O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)C1(O)CCC1.
What is the InChIKey of N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide?
The InChIKey is PQNUOVNYFCATNM-SFYZADRCSA-N. The full InChI is InChI=1S/C11H17F2NO3/c12-11(13)6-1-3-7(8(11)15)14-9(16)10(17)4-2-5-10/h7-8,15,17H,1-6H2,(H,14,16)/t7-,8+/m1/s1.
What are the key properties of N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide?
N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide has a molecular weight of 249.26 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboxamide is sourced from PubChem (CID 164636822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).