[(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol

C7H13F2NO — CID 146273213

IUPAC[(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC(CF)(CF)CN1
InChIInChI=1S/C7H13F2NO/c8-3-7(4-9)1-6(2-11)10-5-7/h6,10-11H,1-5H2/t6-/m0/s1
InChIKeyQNIBWQKNKHAGNV-LURJTMIESA-N
MW165.18 g/mol
LogP0.27
Rot. Bonds3

About [(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol

[(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol (PubChem CID 146273213) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is [(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol
PubChem CID146273213
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name[(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CC(CF)(CF)CN1
InChIInChI=1S/C7H13F2NO/c8-3-7(4-9)1-6(2-11)10-5-7/h6,10-11H,1-5H2/t6-/m0/s1
InChIKeyQNIBWQKNKHAGNV-LURJTMIESA-N
XLogP0.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol (CID 146273213) is [(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1CC(CF)(CF)CN1.
What is the InChIKey of [(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol?
The InChIKey is QNIBWQKNKHAGNV-LURJTMIESA-N. The full InChI is InChI=1S/C7H13F2NO/c8-3-7(4-9)1-6(2-11)10-5-7/h6,10-11H,1-5H2/t6-/m0/s1.
What are the key properties of [(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol?
[(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol has a molecular weight of 165.18 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-bis(fluoromethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 146273213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).