(3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine

C8H16FNO — CID 153498427

IUPAC(3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine
SMILESCC(C)N[C@@H]1CCOC[C@H]1F
InChIInChI=1S/C8H16FNO/c1-6(2)10-8-3-4-11-5-7(8)9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyASGHFXQDCNPBLK-HTQZYQBOSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds2

About (3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine

(3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine (PubChem CID 153498427) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine
PubChem CID153498427
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine
SMILESCC(C)N[C@@H]1CCOC[C@H]1F
InChIInChI=1S/C8H16FNO/c1-6(2)10-8-3-4-11-5-7(8)9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyASGHFXQDCNPBLK-HTQZYQBOSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Methylamino)tetrahydro-2H-pyran
CID 6991950
N-(Propan-2-yl)oxan-4-amine
CID 21709941
N-Cyclopropyltetrahydro-2H-pyran-4-amine
CID 6991952
N-ethyltetrahydro-2H-pyran-4-amine
CID 10964527
N-methyloxan-4-amine hydrochloride
CID 22736998
N-Propyltetrahydro-2H-pyran-4-amine
CID 18348908
N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 43608311
N-cyclohexyl-3-fluorooxan-4-amine
CID 58035402
N-(2,2-difluoroethyl)oxan-4-amine
CID 60921635
N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 63225984
(3R,4R)-3-fluoro-N-methyl-tetrahydropyran-4-amine
CID 84648186
N-(2,2,3,3,3-pentafluoropropyl)oxan-4-amine
CID 121294613

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine?
The IUPAC name of (3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine (CID 153498427) is (3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine.
What is the SMILES notation for (3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine?
The canonical SMILES for (3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine is CC(C)N[C@@H]1CCOC[C@H]1F.
What is the InChIKey of (3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine?
The InChIKey is ASGHFXQDCNPBLK-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(2)10-8-3-4-11-5-7(8)9/h6-8,10H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine?
(3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-N-propan-2-yloxan-4-amine is sourced from PubChem (CID 153498427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).