[(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol

C9H16F3NO — CID 115518105

IUPAC[(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)4-2-6-13-5-1-3-8(13)7-14/h8,14H,1-7H2/t8-/m1/s1
InChIKeyBFYXRPSTUGYIAK-MRVPVSSYSA-N
MW211.23 g/mol
LogP1.79
Rot. Bonds4

About [(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol

[(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol (PubChem CID 115518105) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is [(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol
PubChem CID115518105
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name[(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)4-2-6-13-5-1-3-8(13)7-14/h8,14H,1-7H2/t8-/m1/s1
InChIKeyBFYXRPSTUGYIAK-MRVPVSSYSA-N
XLogP1.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol (CID 115518105) is [(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1CCCC(F)(F)F.
What is the InChIKey of [(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol?
The InChIKey is BFYXRPSTUGYIAK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)4-2-6-13-5-1-3-8(13)7-14/h8,14H,1-7H2/t8-/m1/s1.
What are the key properties of [(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol?
[(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol has a molecular weight of 211.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 115518105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).