(2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine

C7H14FNO — CID 129462655

IUPAC(2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine
SMILESCNC[C@@H](F)[C@H]1CCOC1
InChIInChI=1S/C7H14FNO/c1-9-4-7(8)6-2-3-10-5-6/h6-7,9H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyJETKOIUVVAUWSI-NKWVEPMBSA-N
MW147.19 g/mol
LogP0.58
Rot. Bonds3

About (2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine

(2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine (PubChem CID 129462655) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine.

Molecular Properties

Compound Name(2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine
PubChem CID129462655
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine
SMILESCNC[C@@H](F)[C@H]1CCOC1
InChIInChI=1S/C7H14FNO/c1-9-4-7(8)6-2-3-10-5-6/h6-7,9H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyJETKOIUVVAUWSI-NKWVEPMBSA-N
XLogP0.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(1S)-1-fluoropropyl]oxolane
CID 154655865
(2R)-2-cyclobutyl-2-fluoro-N-methylethanamine
CID 129462289
N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 116948007
(2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine
CID 129494993
N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine
CID 65330243
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
2-(4-methylpentan-2-ylamino)-1-(oxolan-3-yl)ethanol
CID 115890653
N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine
CID 65330413
1-N,2-N-dimethyl-2-N-(oxolan-3-yl)propane-1,2-diamine
CID 82753910
3-ethyl-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 82923243
2-(2,2-dimethylhydrazinyl)-2-(oxolan-3-yl)ethanamine
CID 83010989
1-cyclooctyl-N-methyl-1-(oxolan-3-yl)methanamine
CID 80603950

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine?
The IUPAC name of (2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine (CID 129462655) is (2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine.
What is the SMILES notation for (2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine?
The canonical SMILES for (2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine is CNC[C@@H](F)[C@H]1CCOC1.
What is the InChIKey of (2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine?
The InChIKey is JETKOIUVVAUWSI-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14FNO/c1-9-4-7(8)6-2-3-10-5-6/h6-7,9H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of (2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine?
(2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine has a molecular weight of 147.19 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-N-methyl-2-[(3S)-oxolan-3-yl]ethanamine is sourced from PubChem (CID 129462655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).