(2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine

C7H14FNO — CID 129462699

IUPAC(2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine
SMILESNC[C@@H](F)C[C@H]1CCCO1
InChIInChI=1S/C7H14FNO/c8-6(5-9)4-7-2-1-3-10-7/h6-7H,1-5,9H2/t6-,7+/m0/s1
InChIKeyPBAUBCSCUIDPDM-NKWVEPMBSA-N
MW147.19 g/mol
LogP0.85
Rot. Bonds3

About (2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine

(2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine (PubChem CID 129462699) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine.

Molecular Properties

Compound Name(2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine
PubChem CID129462699
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine
SMILESNC[C@@H](F)C[C@H]1CCCO1
InChIInChI=1S/C7H14FNO/c8-6(5-9)4-7-2-1-3-10-7/h6-7H,1-5,9H2/t6-,7+/m0/s1
InChIKeyPBAUBCSCUIDPDM-NKWVEPMBSA-N
XLogP0.85
TPSA35.25 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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2-fluoropropyl)oxane
CID 122239838
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
[(2R)-oxolan-2-yl]methanamine
CID 2734124
2-fluoro-3-(oxan-3-yl)propan-1-amine
CID 105431675
(2R)-2-amino-3-[(2R)-oxolan-2-yl]propanoic acid;hydrochloride
CID 155943705
1-cyclopropyl-3-(oxolan-2-yl)propan-2-amine
CID 64905481
3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
CID 14391738
2-(3-bromo-2-methylpropyl)oxolane
CID 66049606
5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 107443069
6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine
CID 115516320
2-cyano-3-(oxolan-2-yl)propanoic acid
CID 154380651

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine?
The IUPAC name of (2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine (CID 129462699) is (2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine.
What is the SMILES notation for (2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine?
The canonical SMILES for (2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine is NC[C@@H](F)C[C@H]1CCCO1.
What is the InChIKey of (2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine?
The InChIKey is PBAUBCSCUIDPDM-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14FNO/c8-6(5-9)4-7-2-1-3-10-7/h6-7H,1-5,9H2/t6-,7+/m0/s1.
What are the key properties of (2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine?
(2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine has a molecular weight of 147.19 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine is sourced from PubChem (CID 129462699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).