cis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol

C6H9F3O — CID 164675194

IUPACcis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol
SMILESC[C@@H]1[C@H](C)C1(O)C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-3-4(2)5(3,10)6(7,8)9/h3-4,10H,1-2H3/t3-,4+,5?
InChIKeyIOSVDMJTVHHIEL-NGQZWQHPSA-N
MW154.13 g/mol
LogP1.57
Rot. Bonds

About cis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol

cis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol (PubChem CID 164675194) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is cis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol.

Molecular Properties

Compound Namecis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol
PubChem CID164675194
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Namecis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol
SMILESC[C@@H]1[C@H](C)C1(O)C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-3-4(2)5(3,10)6(7,8)9/h3-4,10H,1-2H3/t3-,4+,5?
InChIKeyIOSVDMJTVHHIEL-NGQZWQHPSA-N
XLogP1.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol?
The IUPAC name of cis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol (CID 164675194) is cis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol.
What is the SMILES notation for cis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol?
The canonical SMILES for cis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol is C[C@@H]1[C@H](C)C1(O)C(F)(F)F.
What is the InChIKey of cis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol?
The InChIKey is IOSVDMJTVHHIEL-NGQZWQHPSA-N. The full InChI is InChI=1S/C6H9F3O/c1-3-4(2)5(3,10)6(7,8)9/h3-4,10H,1-2H3/t3-,4+,5?.
What are the key properties of cis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol?
cis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol has a molecular weight of 154.13 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-2,3-dimethyl-1-(trifluoromethyl)cyclopropan-1-ol is sourced from PubChem (CID 164675194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).