1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol

C9H16F3NO — CID 84734520

IUPAC1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol
SMILESOC(CCCC1CCNC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14)3-1-2-7-4-5-13-6-7/h7-8,13-14H,1-6H2
InChIKeyIFAHQVABCJYOGP-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.69
Rot. Bonds4

About 1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol

1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol (PubChem CID 84734520) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol
PubChem CID84734520
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol
SMILESOC(CCCC1CCNC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14)3-1-2-7-4-5-13-6-7/h7-8,13-14H,1-6H2
InChIKeyIFAHQVABCJYOGP-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(Trifluoromethyl)pyrrolidin-2-yl]propan-1-ol
CID 84072607
4,4,4-Trifluoro-3-pyrrolidin-2-ylbutan-1-ol
CID 84072609
1,1,1-Trifluoro-4-pyrrolidin-3-ylbutan-2-ol
CID 84733444
1,1,1-Trifluoro-5-piperidin-4-ylpentan-2-ol
CID 84735632
1,1,1-Trifluoro-5-piperidin-3-ylpentan-2-ol
CID 84735633
2,2,2-Trifluoro-1-[4-(methylaminomethyl)cyclohexyl]ethanol
CID 84735657
1,1,1-Trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol
CID 84736815
2,2,2-Trifluoro-1-[4-[2-(methylamino)ethyl]cyclohexyl]ethanol
CID 84736824
1,1,1-Trifluoro-3-[4-[2-(methylamino)ethyl]cyclohexyl]propan-2-ol
CID 84737861
2,2,2-Trifluoro-1-[4-[3-(methylamino)propyl]cyclohexyl]ethanol
CID 84737872
1-Cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 103157182
1-Cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 103157763

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol (CID 84734520) is 1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol is OC(CCCC1CCNC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol?
The InChIKey is IFAHQVABCJYOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)8(14)3-1-2-7-4-5-13-6-7/h7-8,13-14H,1-6H2.
What are the key properties of 1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol?
1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-pyrrolidin-3-ylpentan-2-ol is sourced from PubChem (CID 84734520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).