trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol

C8H13F3O — CID 146559803

IUPACtrans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol
SMILESCC(C)[C@H]1CC[C@@]1(O)C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-5(2)6-3-4-7(6,12)8(9,10)11/h5-6,12H,3-4H2,1-2H3/t6-,7+/m1/s1
InChIKeyPTAMVSQZYGZCER-RQJHMYQMSA-N
MW182.18 g/mol
LogP2.35
Rot. Bonds1

About trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol

trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 146559803) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol
PubChem CID146559803
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Nametrans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol
SMILESCC(C)[C@H]1CC[C@@]1(O)C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-5(2)6-3-4-7(6,12)8(9,10)11/h5-6,12H,3-4H2,1-2H3/t6-,7+/m1/s1
InChIKeyPTAMVSQZYGZCER-RQJHMYQMSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol (CID 146559803) is trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol is CC(C)[C@H]1CC[C@@]1(O)C(F)(F)F.
What is the InChIKey of trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is PTAMVSQZYGZCER-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13F3O/c1-5(2)6-3-4-7(6,12)8(9,10)11/h5-6,12H,3-4H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol?
trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 182.18 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 146559803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).