cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol

C5H8F3NO — CID 95241014

IUPACcis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol
SMILESN[C@@H]1CC[C@]1(O)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4(10)2-1-3(4)9/h3,10H,1-2,9H2/t3-,4-/m1/s1
InChIKeyLDHGETDLVALRDH-QWWZWVQMSA-N
MW155.12 g/mol
LogP0.40
Rot. Bonds

About cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol

cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 95241014) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol
PubChem CID95241014
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Namecis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol
SMILESN[C@@H]1CC[C@]1(O)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4(10)2-1-3(4)9/h3,10H,1-2,9H2/t3-,4-/m1/s1
InChIKeyLDHGETDLVALRDH-QWWZWVQMSA-N
XLogP0.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol
CID 95241025
2-(2-aminoethyl)-1-(trifluoromethyl)cyclopentan-1-ol
CID 84733431
trans-(1S,2R)-2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol
CID 146559803
2-propan-2-yl-1-(trifluoromethyl)cyclobutan-1-ol
CID 153486221
3-amino-1-(trifluoromethyl)cyclohexan-1-ol
CID 50989727
[2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine
CID 84733655
1,2-diaminocyclopentan-1-ol
CID 22410822
(1R,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 101087831
3-amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol
CID 107140270
(1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol
CID 178202277
(1R)-2,2-dimethylcyclobutan-1-amine
CID 99645727
4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol
CID 105451787

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol (CID 95241014) is cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol is N[C@@H]1CC[C@]1(O)C(F)(F)F.
What is the InChIKey of cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is LDHGETDLVALRDH-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)4(10)2-1-3(4)9/h3,10H,1-2,9H2/t3-,4-/m1/s1.
What are the key properties of cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol?
cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 155.12 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 95241014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).