6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol

C10H18F3NO — CID 116535963

IUPAC6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)C1CCCN1
InChIInChI=1S/C10H18F3NO/c1-9(15,8-4-2-7-14-8)5-3-6-10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyCMTPFVPEGQIEAP-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.22
Rot. Bonds4

About 6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol

6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol (PubChem CID 116535963) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol
PubChem CID116535963
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)C1CCCN1
InChIInChI=1S/C10H18F3NO/c1-9(15,8-4-2-7-14-8)5-3-6-10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyCMTPFVPEGQIEAP-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol?
The IUPAC name of 6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol (CID 116535963) is 6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol.
What is the SMILES notation for 6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol?
The canonical SMILES for 6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol is CC(O)(CCCC(F)(F)F)C1CCCN1.
What is the InChIKey of 6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol?
The InChIKey is CMTPFVPEGQIEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(15,8-4-2-7-14-8)5-3-6-10(11,12)13/h8,14-15H,2-7H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol?
6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-pyrrolidin-2-ylhexan-2-ol is sourced from PubChem (CID 116535963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).