2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine

C10H18F3NO — CID 82953863

IUPAC2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine
SMILESNC1CCCCCC1OCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)6-7-15-9-5-3-1-2-4-8(9)14/h8-9H,1-7,14H2
InChIKeyPTJOLBLYTBDXQN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.62
Rot. Bonds3

About 2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine

2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine (PubChem CID 82953863) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine
PubChem CID82953863
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine
SMILESNC1CCCCCC1OCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)6-7-15-9-5-3-1-2-4-8(9)14/h8-9H,1-7,14H2
InChIKeyPTJOLBLYTBDXQN-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine?
The IUPAC name of 2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine (CID 82953863) is 2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine.
What is the SMILES notation for 2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine?
The canonical SMILES for 2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine is NC1CCCCCC1OCCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine?
The InChIKey is PTJOLBLYTBDXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)6-7-15-9-5-3-1-2-4-8(9)14/h8-9H,1-7,14H2.
What are the key properties of 2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine?
2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropoxy)cycloheptan-1-amine is sourced from PubChem (CID 82953863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).