1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid

C8H14F3NO3 — CID 72698248

IUPAC1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid
SMILESNCC1(O)CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13NO.C2HF3O2/c7-5-6(8)3-1-2-4-6;3-2(4,5)1(6)7/h8H,1-5,7H2;(H,6,7)
InChIKeyKIVJUPCHXSUZKJ-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.88
Rot. Bonds1

About 1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid

1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid (PubChem CID 72698248) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid
PubChem CID72698248
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid
SMILESNCC1(O)CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13NO.C2HF3O2/c7-5-6(8)3-1-2-4-6;3-2(4,5)1(6)7/h8H,1-5,7H2;(H,6,7)
InChIKeyKIVJUPCHXSUZKJ-UHFFFAOYSA-N
XLogP0.88
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
CID 155165177
(4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid
CID 170902541
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
spiro[2.5]octane;2,2,2-trifluoroacetic acid
CID 68898433
4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
CID 67270916
oxophosphanium;2,2,2-trifluoroacetic acid
CID 175810301
2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid
CID 45098570
cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 95278571
2-aminoacetaldehyde;2,2,2-trifluoroacetic acid
CID 171923069
acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid (CID 72698248) is 1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid is NCC1(O)CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid?
The InChIKey is KIVJUPCHXSUZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2HF3O2/c7-5-6(8)3-1-2-4-6;3-2(4,5)1(6)7/h8H,1-5,7H2;(H,6,7).
What are the key properties of 1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid?
1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid has a molecular weight of 229.20 g/mol, XLogP of 0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cyclopentan-1-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 72698248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).