(3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine

C8H16FNO — CID 126847893

IUPAC(3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine
SMILESCC(C)CN[C@@H]1COC[C@H]1F
InChIInChI=1S/C8H16FNO/c1-6(2)3-10-8-5-11-4-7(8)9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyUNCBZVQUKXQDGK-HTQZYQBOSA-N
MW161.22 g/mol
LogP0.97
Rot. Bonds3

About (3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine

(3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine (PubChem CID 126847893) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine
PubChem CID126847893
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine
SMILESCC(C)CN[C@@H]1COC[C@H]1F
InChIInChI=1S/C8H16FNO/c1-6(2)3-10-8-5-11-4-7(8)9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyUNCBZVQUKXQDGK-HTQZYQBOSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine
CID 146497565
(3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine
CID 126847898
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorooxolan-3-amine
CID 126856369
(2S,3R,4S,5R)-5-(2-methylpropylamino)oxane-2,3,4-triol
CID 56626974
N-methyl-4-[(2-methylpropylamino)methyl]oxolan-3-amine
CID 66247355
4-(2-methylpentylamino)oxolan-3-ol
CID 115919683
(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 97358057
4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine
CID 164651094
1-(oxetan-3-ylamino)propan-2-ol
CID 63624382
4-[(2-methylpropylamino)methyl]oxolan-3-amine
CID 66237931
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483
3-[(4-hydroxyoxolan-3-yl)amino]propane-1,2-diol
CID 66178034

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine?
The IUPAC name of (3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine (CID 126847893) is (3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine.
What is the SMILES notation for (3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine?
The canonical SMILES for (3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine is CC(C)CN[C@@H]1COC[C@H]1F.
What is the InChIKey of (3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine?
The InChIKey is UNCBZVQUKXQDGK-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(2)3-10-8-5-11-4-7(8)9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine?
(3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine has a molecular weight of 161.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine is sourced from PubChem (CID 126847893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).