ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide

C10H22FNO2 — CID 142147176

IUPACethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide
SMILESCC.CCC(=O)N(C)C(CC)C(O)F
InChIInChI=1S/C8H16FNO2.C2H6/c1-4-6(8(9)12)10(3)7(11)5-2;1-2/h6,8,12H,4-5H2,1-3H3;1-2H3
InChIKeyOLZFKUMNVNKOKS-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.95
Rot. Bonds4

About ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide

ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide (PubChem CID 142147176) has the molecular formula C10H22FNO2 and a molecular weight of 207.29 g/mol. Its IUPAC name is ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Nameethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide
PubChem CID142147176
Molecular FormulaC10H22FNO2
Molecular Weight207.29 g/mol
Exact Mass207.16
IUPAC Nameethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide
SMILESCC.CCC(=O)N(C)C(CC)C(O)F
InChIInChI=1S/C8H16FNO2.C2H6/c1-4-6(8(9)12)10(3)7(11)5-2;1-2/h6,8,12H,4-5H2,1-3H3;1-2H3
InChIKeyOLZFKUMNVNKOKS-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide
CID 87922265
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 43573113
3,3,3-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 61039024
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylpropanamide
CID 61581081
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 61581990
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutanamide
CID 65710967
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbutanamide
CID 65711166
3,3,3-trifluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(trifluoromethyl)propanamide
CID 103310230
2,2-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 103513901
2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 103513986
2,2,3,3-tetrafluoro-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 103874502
2,2,3,3-tetrafluoro-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 108053386

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide?
The IUPAC name of ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide (CID 142147176) is ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide.
What is the SMILES notation for ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide?
The canonical SMILES for ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide is CC.CCC(=O)N(C)C(CC)C(O)F.
What is the InChIKey of ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide?
The InChIKey is OLZFKUMNVNKOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2.C2H6/c1-4-6(8(9)12)10(3)7(11)5-2;1-2/h6,8,12H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide?
ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide has a molecular weight of 207.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-fluoro-1-hydroxybutan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 142147176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).