N-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide

C10H18F2N2O2 — CID 165448652

IUPACN-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide
SMILESCC(N)(CCNC(=O)C1CCOC1)C(F)F
InChIInChI=1S/C10H18F2N2O2/c1-10(13,9(11)12)3-4-14-8(15)7-2-5-16-6-7/h7,9H,2-6,13H2,1H3,(H,14,15)
InChIKeyBUCIXDXMYYCUND-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.51
Rot. Bonds5

About N-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide

N-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide (PubChem CID 165448652) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is N-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide
PubChem CID165448652
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC NameN-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide
SMILESCC(N)(CCNC(=O)C1CCOC1)C(F)F
InChIInChI=1S/C10H18F2N2O2/c1-10(13,9(11)12)3-4-14-8(15)7-2-5-16-6-7/h7,9H,2-6,13H2,1H3,(H,14,15)
InChIKeyBUCIXDXMYYCUND-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
N-ethyl-3-fluorooxolane-3-carboxamide
CID 130709196
3-fluoro-N-propan-2-yloxolane-3-carboxamide
CID 131038892
(3S)-N-[(1S)-3,3-difluoro-1-(methylamino)propyl]oxolane-3-carboxamide
CID 169193233
(3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide
CID 169194180
3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 169861853
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 61272382
2-amino-4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
CID 62472672
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64890960
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891155
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 64891625
3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
CID 64891757

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide?
The IUPAC name of N-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide (CID 165448652) is N-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide?
The canonical SMILES for N-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide is CC(N)(CCNC(=O)C1CCOC1)C(F)F.
What is the InChIKey of N-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide?
The InChIKey is BUCIXDXMYYCUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-10(13,9(11)12)3-4-14-8(15)7-2-5-16-6-7/h7,9H,2-6,13H2,1H3,(H,14,15).
What are the key properties of N-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide?
N-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4,4-difluoro-3-methylbutyl)oxolane-3-carboxamide is sourced from PubChem (CID 165448652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).