(3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine

C9H18FNO — CID 145386955

IUPAC(3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine
SMILESCCCO[C@@H](C)C[C@@H]1C(N)C1F
InChIInChI=1S/C9H18FNO/c1-3-4-12-6(2)5-7-8(10)9(7)11/h6-9H,3-5,11H2,1-2H3/t6-,7-,8?,9?/m0/s1
InChIKeyVKCNRCDMWGCNGY-MSIFESELSA-N
MW175.25 g/mol
LogP1.49
Rot. Bonds5

About (3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine

(3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine (PubChem CID 145386955) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine.

Molecular Properties

Compound Name(3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine
PubChem CID145386955
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine
SMILESCCCO[C@@H](C)C[C@@H]1C(N)C1F
InChIInChI=1S/C9H18FNO/c1-3-4-12-6(2)5-7-8(10)9(7)11/h6-9H,3-5,11H2,1-2H3/t6-,7-,8?,9?/m0/s1
InChIKeyVKCNRCDMWGCNGY-MSIFESELSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine?
The IUPAC name of (3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine (CID 145386955) is (3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine.
What is the SMILES notation for (3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine?
The canonical SMILES for (3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine is CCCO[C@@H](C)C[C@@H]1C(N)C1F.
What is the InChIKey of (3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine?
The InChIKey is VKCNRCDMWGCNGY-MSIFESELSA-N. The full InChI is InChI=1S/C9H18FNO/c1-3-4-12-6(2)5-7-8(10)9(7)11/h6-9H,3-5,11H2,1-2H3/t6-,7-,8?,9?/m0/s1.
What are the key properties of (3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine?
(3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-fluoro-3-[(2S)-2-propoxypropyl]cyclopropan-1-amine is sourced from PubChem (CID 145386955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).