4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid

C9H16F3NO3 — CID 70235575

IUPAC4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid
SMILESCC1(O)CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15NO.C2HF3O2/c1-7(9)4-2-6(8)3-5-7;3-2(4,5)1(6)7/h6,9H,2-5,8H2,1H3;(H,6,7)
InChIKeyYWFYHQPLIYXOCK-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.27
Rot. Bonds

About 4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid

4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid (PubChem CID 70235575) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid
PubChem CID70235575
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid
SMILESCC1(O)CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15NO.C2HF3O2/c1-7(9)4-2-6(8)3-5-7;3-2(4,5)1(6)7/h6,9H,2-5,8H2,1H3;(H,6,7)
InChIKeyYWFYHQPLIYXOCK-UHFFFAOYSA-N
XLogP1.27
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid (CID 70235575) is 4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid is CC1(O)CCC(N)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid?
The InChIKey is YWFYHQPLIYXOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2HF3O2/c1-7(9)4-2-6(8)3-5-7;3-2(4,5)1(6)7/h6,9H,2-5,8H2,1H3;(H,6,7).
What are the key properties of 4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid?
4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid has a molecular weight of 243.22 g/mol, XLogP of 1.27, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70235575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).