4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine

C10H18F3NO — CID 21252713

IUPAC4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine
SMILESCOC(C)(C1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-9(15-2,10(11,12)13)7-3-5-8(14)6-4-7/h7-8H,3-6,14H2,1-2H3
InChIKeyXQRGYXUNQKCPKD-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds2

About 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine

4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine (PubChem CID 21252713) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine
PubChem CID21252713
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine
SMILESCOC(C)(C1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-9(15-2,10(11,12)13)7-3-5-8(14)6-4-7/h7-8H,3-6,14H2,1-2H3
InChIKeyXQRGYXUNQKCPKD-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine (CID 21252713) is 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine is COC(C)(C1CCC(N)CC1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine?
The InChIKey is XQRGYXUNQKCPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(15-2,10(11,12)13)7-3-5-8(14)6-4-7/h7-8H,3-6,14H2,1-2H3.
What are the key properties of 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine?
4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 21252713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).