(1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine

C8H16FN — CID 172508196

IUPAC(1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine
SMILESCC(C)N(C)[C@H]1[C@H](C)[C@@H]1F
InChIInChI=1S/C8H16FN/c1-5(2)10(4)8-6(3)7(8)9/h5-8H,1-4H3/t6-,7+,8+/m1/s1
InChIKeyYEXHWXNIFXBQEM-CSMHCCOUSA-N
MW145.22 g/mol
LogP1.68
Rot. Bonds2

About (1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine

(1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine (PubChem CID 172508196) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine
PubChem CID172508196
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine
SMILESCC(C)N(C)[C@H]1[C@H](C)[C@@H]1F
InChIInChI=1S/C8H16FN/c1-5(2)10(4)8-6(3)7(8)9/h5-8H,1-4H3/t6-,7+,8+/m1/s1
InChIKeyYEXHWXNIFXBQEM-CSMHCCOUSA-N
XLogP1.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine?
The IUPAC name of (1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine (CID 172508196) is (1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for (1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for (1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine is CC(C)N(C)[C@H]1[C@H](C)[C@@H]1F.
What is the InChIKey of (1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine?
The InChIKey is YEXHWXNIFXBQEM-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H16FN/c1-5(2)10(4)8-6(3)7(8)9/h5-8H,1-4H3/t6-,7+,8+/m1/s1.
What are the key properties of (1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine?
(1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-2-fluoro-N,3-dimethyl-N-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 172508196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).