(1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine

C8H14FNO — CID 89205629

IUPAC(1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
SMILESCC1C=COC1[C@H](N)C(C)F
InChIInChI=1S/C8H14FNO/c1-5-3-4-11-8(5)7(10)6(2)9/h3-8H,10H2,1-2H3/t5?,6?,7-,8?/m1/s1
InChIKeyQSYBPVBPECLRKO-DJAIAVIWSA-N
MW159.20 g/mol
LogP1.22
Rot. Bonds2

About (1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine

(1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine (PubChem CID 89205629) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
PubChem CID89205629
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
SMILESCC1C=COC1[C@H](N)C(C)F
InChIInChI=1S/C8H14FNO/c1-5-3-4-11-8(5)7(10)6(2)9/h3-8H,10H2,1-2H3/t5?,6?,7-,8?/m1/s1
InChIKeyQSYBPVBPECLRKO-DJAIAVIWSA-N
XLogP1.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine?
The IUPAC name of (1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine (CID 89205629) is (1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine?
The canonical SMILES for (1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine is CC1C=COC1[C@H](N)C(C)F.
What is the InChIKey of (1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine?
The InChIKey is QSYBPVBPECLRKO-DJAIAVIWSA-N. The full InChI is InChI=1S/C8H14FNO/c1-5-3-4-11-8(5)7(10)6(2)9/h3-8H,10H2,1-2H3/t5?,6?,7-,8?/m1/s1.
What are the key properties of (1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine?
(1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine has a molecular weight of 159.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-fluoro-1-(3-methyl-2,3-dihydrofuran-2-yl)propan-1-amine is sourced from PubChem (CID 89205629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).