3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine

C7H12FNO — CID 102652383

IUPAC3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine
SMILESNCCC(F)C1=CCCO1
InChIInChI=1S/C7H12FNO/c8-6(3-4-9)7-2-1-5-10-7/h2,6H,1,3-5,9H2
InChIKeySHTJOFFNMACYFU-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.98
Rot. Bonds3

About 3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine

3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine (PubChem CID 102652383) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine
PubChem CID102652383
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine
SMILESNCCC(F)C1=CCCO1
InChIInChI=1S/C7H12FNO/c8-6(3-4-9)7-2-1-5-10-7/h2,6H,1,3-5,9H2
InChIKeySHTJOFFNMACYFU-UHFFFAOYSA-N
XLogP0.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine?
The IUPAC name of 3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine (CID 102652383) is 3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine?
The canonical SMILES for 3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine is NCCC(F)C1=CCCO1.
What is the InChIKey of 3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine?
The InChIKey is SHTJOFFNMACYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-6(3-4-9)7-2-1-5-10-7/h2,6H,1,3-5,9H2.
What are the key properties of 3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine?
3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine has a molecular weight of 145.18 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydrofuran-5-yl)-3-fluoropropan-1-amine is sourced from PubChem (CID 102652383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).