(3R,4R)-N-ethyl-4-fluorooxolan-3-amine

C6H12FNO — CID 177317200

IUPAC(3R,4R)-N-ethyl-4-fluorooxolan-3-amine
SMILESCCN[C@@H]1COC[C@@H]1F
InChIInChI=1S/C6H12FNO/c1-2-8-6-4-9-3-5(6)7/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeySAACSYQAIFLSPO-NTSWFWBYSA-N
MW133.17 g/mol
LogP0.33
Rot. Bonds2

About (3R,4R)-N-ethyl-4-fluorooxolan-3-amine

(3R,4R)-N-ethyl-4-fluorooxolan-3-amine (PubChem CID 177317200) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (3R,4R)-N-ethyl-4-fluorooxolan-3-amine.

Molecular Properties

Compound Name(3R,4R)-N-ethyl-4-fluorooxolan-3-amine
PubChem CID177317200
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(3R,4R)-N-ethyl-4-fluorooxolan-3-amine
SMILESCCN[C@@H]1COC[C@@H]1F
InChIInChI=1S/C6H12FNO/c1-2-8-6-4-9-3-5(6)7/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeySAACSYQAIFLSPO-NTSWFWBYSA-N
XLogP0.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 207923
N-methyloxolan-3-amine
CID 22225706
N-methyltetrahydrofuran-3-amine hydrochloride
CID 53404832
(3R)-N-methyloxolan-3-amine hydrochloride
CID 55264568
N-ethyloxolan-3-amine
CID 59535381
N-(prop-2-yn-1-yl)oxolan-3-amine
CID 63331554
N-ethyloxolan-3-amine hydrochloride
CID 76220685
N-(oxetan-3-yl)oxolan-3-amine
CID 80120942
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
N-(2,2,2-trifluoroethyl)oxolan-3-amine
CID 63331552
(2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine
CID 66596454
N-(2,2,2-trifluoroethyl)oxolan-3-amine hydrochloride
CID 71755996

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-ethyl-4-fluorooxolan-3-amine?
The IUPAC name of (3R,4R)-N-ethyl-4-fluorooxolan-3-amine (CID 177317200) is (3R,4R)-N-ethyl-4-fluorooxolan-3-amine.
What is the SMILES notation for (3R,4R)-N-ethyl-4-fluorooxolan-3-amine?
The canonical SMILES for (3R,4R)-N-ethyl-4-fluorooxolan-3-amine is CCN[C@@H]1COC[C@@H]1F.
What is the InChIKey of (3R,4R)-N-ethyl-4-fluorooxolan-3-amine?
The InChIKey is SAACSYQAIFLSPO-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-2-8-6-4-9-3-5(6)7/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (3R,4R)-N-ethyl-4-fluorooxolan-3-amine?
(3R,4R)-N-ethyl-4-fluorooxolan-3-amine has a molecular weight of 133.17 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-ethyl-4-fluorooxolan-3-amine is sourced from PubChem (CID 177317200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).