(1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol

C9H18FNO — CID 155010639

IUPAC(1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(C)[C@](O)(F)[C@@H]1CCCN1
InChIInChI=1S/C9H18FNO/c1-8(2,3)9(10,12)7-5-4-6-11-7/h7,11-12H,4-6H2,1-3H3/t7-,9-/m0/s1
InChIKeyIIKDFXLBOOXGFX-CBAPKCEASA-N
MW175.25 g/mol
LogP1.44
Rot. Bonds1

About (1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol

(1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol (PubChem CID 155010639) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
PubChem CID155010639
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(C)[C@](O)(F)[C@@H]1CCCN1
InChIInChI=1S/C9H18FNO/c1-8(2,3)9(10,12)7-5-4-6-11-7/h7,11-12H,4-6H2,1-3H3/t7-,9-/m0/s1
InChIKeyIIKDFXLBOOXGFX-CBAPKCEASA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of (1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol (CID 155010639) is (1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for (1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol is CC(C)(C)[C@](O)(F)[C@@H]1CCCN1.
What is the InChIKey of (1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The InChIKey is IIKDFXLBOOXGFX-CBAPKCEASA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2,3)9(10,12)7-5-4-6-11-7/h7,11-12H,4-6H2,1-3H3/t7-,9-/m0/s1.
What are the key properties of (1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
(1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol has a molecular weight of 175.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-fluoro-2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 155010639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).