1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide

C14H24F2N2O — CID 153410122

IUPAC1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide
SMILESCC(NC1CCC(C2(C(N)=O)CCC2)CC1)C(F)F
InChIInChI=1S/C14H24F2N2O/c1-9(12(15)16)18-11-5-3-10(4-6-11)14(13(17)19)7-2-8-14/h9-12,18H,2-8H2,1H3,(H2,17,19)
InChIKeyWGHGWWUVFFWLOJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.44
Rot. Bonds5

About 1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide

1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide (PubChem CID 153410122) has the molecular formula C14H24F2N2O and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide
PubChem CID153410122
Molecular FormulaC14H24F2N2O
Molecular Weight274.35 g/mol
Exact Mass274.19
IUPAC Name1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide
SMILESCC(NC1CCC(C2(C(N)=O)CCC2)CC1)C(F)F
InChIInChI=1S/C14H24F2N2O/c1-9(12(15)16)18-11-5-3-10(4-6-11)14(13(17)19)7-2-8-14/h9-12,18H,2-8H2,1H3,(H2,17,19)
InChIKeyWGHGWWUVFFWLOJ-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide (CID 153410122) is 1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide is CC(NC1CCC(C2(C(N)=O)CCC2)CC1)C(F)F.
What is the InChIKey of 1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide?
The InChIKey is WGHGWWUVFFWLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O/c1-9(12(15)16)18-11-5-3-10(4-6-11)14(13(17)19)7-2-8-14/h9-12,18H,2-8H2,1H3,(H2,17,19).
What are the key properties of 1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide?
1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 153410122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).