cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine

C11H20F3N — CID 96930735

IUPACcis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine
SMILESCC(C)[C@@H]1CCC[C@](N)(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N/c1-8(2)9-4-3-6-10(15,7-5-9)11(12,13)14/h8-9H,3-7,15H2,1-2H3/t9-,10-/m1/s1
InChIKeyWIXJMNQMCNQCRX-NXEZZACHSA-N
MW223.28 g/mol
LogP3.48
Rot. Bonds1

About cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine

cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine (PubChem CID 96930735) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine.

Molecular Properties

Compound Namecis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine
PubChem CID96930735
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Namecis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine
SMILESCC(C)[C@@H]1CCC[C@](N)(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N/c1-8(2)9-4-3-6-10(15,7-5-9)11(12,13)14/h8-9H,3-7,15H2,1-2H3/t9-,10-/m1/s1
InChIKeyWIXJMNQMCNQCRX-NXEZZACHSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine?
The IUPAC name of cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine (CID 96930735) is cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine.
What is the SMILES notation for cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine?
The canonical SMILES for cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine is CC(C)[C@@H]1CCC[C@](N)(C(F)(F)F)CC1.
What is the InChIKey of cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine?
The InChIKey is WIXJMNQMCNQCRX-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20F3N/c1-8(2)9-4-3-6-10(15,7-5-9)11(12,13)14/h8-9H,3-7,15H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine?
cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine has a molecular weight of 223.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,4R)-4-propan-2-yl-1-(trifluoromethyl)cycloheptan-1-amine is sourced from PubChem (CID 96930735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).