(1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine

C10H18F3NO — CID 28820430

IUPAC(1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCO[C@@H]1CC[C@@H](C(F)(F)F)C[C@@H]1N
InChIInChI=1S/C10H18F3NO/c1-2-5-15-9-4-3-7(6-8(9)14)10(11,12)13/h7-9H,2-6,14H2,1H3/t7-,8+,9-/m1/s1
InChIKeyDPMIUWYTUBBRNQ-HRDYMLBCSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds3

About (1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine

(1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 28820430) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is (1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name(1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine
PubChem CID28820430
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name(1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCO[C@@H]1CC[C@@H](C(F)(F)F)C[C@@H]1N
InChIInChI=1S/C10H18F3NO/c1-2-5-15-9-4-3-7(6-8(9)14)10(11,12)13/h7-9H,2-6,14H2,1H3/t7-,8+,9-/m1/s1
InChIKeyDPMIUWYTUBBRNQ-HRDYMLBCSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 (1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of (1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine (CID 28820430) is (1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for (1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for (1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine is CCCO[C@@H]1CC[C@@H](C(F)(F)F)C[C@@H]1N.
What is the InChIKey of (1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DPMIUWYTUBBRNQ-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-5-15-9-4-3-7(6-8(9)14)10(11,12)13/h7-9H,2-6,14H2,1H3/t7-,8+,9-/m1/s1.
What are the key properties of (1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine?
(1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 28820430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).