(2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol

C8H13F3O2 — CID 155439190

IUPAC(2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol
SMILESC[C@H](O)C1CC1C[C@H](O)C(F)(F)F
InChIInChI=1S/C8H13F3O2/c1-4(12)6-2-5(6)3-7(13)8(9,10)11/h4-7,12-13H,2-3H2,1H3/t4-,5?,6?,7-/m0/s1
InChIKeyFVSONJQSNCFBCK-SZWNGJMLSA-N
MW198.18 g/mol
LogP1.32
Rot. Bonds3

About (2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol

(2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol (PubChem CID 155439190) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol
PubChem CID155439190
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name(2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol
SMILESC[C@H](O)C1CC1C[C@H](O)C(F)(F)F
InChIInChI=1S/C8H13F3O2/c1-4(12)6-2-5(6)3-7(13)8(9,10)11/h4-7,12-13H,2-3H2,1H3/t4-,5?,6?,7-/m0/s1
InChIKeyFVSONJQSNCFBCK-SZWNGJMLSA-N
XLogP1.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol (CID 155439190) is (2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol is C[C@H](O)C1CC1C[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol?
The InChIKey is FVSONJQSNCFBCK-SZWNGJMLSA-N. The full InChI is InChI=1S/C8H13F3O2/c1-4(12)6-2-5(6)3-7(13)8(9,10)11/h4-7,12-13H,2-3H2,1H3/t4-,5?,6?,7-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol?
(2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol has a molecular weight of 198.18 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol is sourced from PubChem (CID 155439190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).