[(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol

C7H14FNO — CID 89078319

IUPAC[(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol
SMILESC[C@@H]1N[C@H](CO)C[C@@H]1CF
InChIInChI=1S/C7H14FNO/c1-5-6(3-8)2-7(4-10)9-5/h5-7,9-10H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyMDDYONAVGLBQHZ-XVMARJQXSA-N
MW147.19 g/mol
LogP0.31
Rot. Bonds2

About [(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol

[(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol (PubChem CID 89078319) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is [(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol
PubChem CID89078319
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name[(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol
SMILESC[C@@H]1N[C@H](CO)C[C@@H]1CF
InChIInChI=1S/C7H14FNO/c1-5-6(3-8)2-7(4-10)9-5/h5-7,9-10H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyMDDYONAVGLBQHZ-XVMARJQXSA-N
XLogP0.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 [(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol (CID 89078319) is [(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol is C[C@@H]1N[C@H](CO)C[C@@H]1CF.
What is the InChIKey of [(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol?
The InChIKey is MDDYONAVGLBQHZ-XVMARJQXSA-N. The full InChI is InChI=1S/C7H14FNO/c1-5-6(3-8)2-7(4-10)9-5/h5-7,9-10H,2-4H2,1H3/t5-,6+,7-/m0/s1.
What are the key properties of [(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol?
[(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol has a molecular weight of 147.19 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 89078319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).