(1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol

C7H14FNO — CID 139302820

IUPAC(1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol
SMILESCNC[C@@H](O)[C@H]1C[C@]1(C)F
InChIInChI=1S/C7H14FNO/c1-7(8)3-5(7)6(10)4-9-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-,7+/m1/s1
InChIKeyVHCUEQUWKWKYFS-QYNIQEEDSA-N
MW147.19 g/mol
LogP0.31
Rot. Bonds3

About (1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol

(1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol (PubChem CID 139302820) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol
PubChem CID139302820
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol
SMILESCNC[C@@H](O)[C@H]1C[C@]1(C)F
InChIInChI=1S/C7H14FNO/c1-7(8)3-5(7)6(10)4-9-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-,7+/m1/s1
InChIKeyVHCUEQUWKWKYFS-QYNIQEEDSA-N
XLogP0.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol?
The IUPAC name of (1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol (CID 139302820) is (1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol.
What is the SMILES notation for (1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol?
The canonical SMILES for (1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol is CNC[C@@H](O)[C@H]1C[C@]1(C)F.
What is the InChIKey of (1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol?
The InChIKey is VHCUEQUWKWKYFS-QYNIQEEDSA-N. The full InChI is InChI=1S/C7H14FNO/c1-7(8)3-5(7)6(10)4-9-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-,7+/m1/s1.
What are the key properties of (1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol?
(1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol has a molecular weight of 147.19 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-(methylamino)ethanol is sourced from PubChem (CID 139302820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).