N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide

C10H17F2NO2 — CID 154947097

IUPACN-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide
SMILESCC(NC=O)C(F)(F)C[C@@H]1CCCCO1
InChIInChI=1S/C10H17F2NO2/c1-8(13-7-14)10(11,12)6-9-4-2-3-5-15-9/h7-9H,2-6H2,1H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyIAFQQCZJKACJJD-GKAPJAKFSA-N
MW221.25 g/mol
LogP1.72
Rot. Bonds5

About N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide

N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide (PubChem CID 154947097) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide.

Molecular Properties

Compound NameN-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide
PubChem CID154947097
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC NameN-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide
SMILESCC(NC=O)C(F)(F)C[C@@H]1CCCCO1
InChIInChI=1S/C10H17F2NO2/c1-8(13-7-14)10(11,12)6-9-4-2-3-5-15-9/h7-9H,2-6H2,1H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyIAFQQCZJKACJJD-GKAPJAKFSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-methylpropyl)oxane
CID 58653197
2-fluoro-3-(oxan-2-yl)propanal
CID 105431408
3-fluoro-4-(oxan-2-yl)butan-2-one
CID 105435805
2-(2,3-dimethylbutyl)oxane
CID 167069415
(2S)-2-(fluoromethyl)oxane
CID 126712338
1,1,1-trifluoro-3-(oxan-2-yl)propan-2-ol
CID 131515753
[3,3-dimethyl-1-(oxan-2-yl)butan-2-yl]hydrazine
CID 105267531
[2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate
CID 145163009
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
2-(2,2-dimethylbutyl)-oxacyclononadecane
CID 173129574
N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide
CID 119042774

Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide?
The IUPAC name of N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide (CID 154947097) is N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide.
What is the SMILES notation for N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide?
The canonical SMILES for N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide is CC(NC=O)C(F)(F)C[C@@H]1CCCCO1.
What is the InChIKey of N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide?
The InChIKey is IAFQQCZJKACJJD-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-8(13-7-14)10(11,12)6-9-4-2-3-5-15-9/h7-9H,2-6H2,1H3,(H,13,14)/t8?,9-/m0/s1.
What are the key properties of N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide?
N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide has a molecular weight of 221.25 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide is sourced from PubChem (CID 154947097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).