N-propyl-4-(trifluoromethyl)oxepan-4-amine

C10H18F3NO — CID 66206206

IUPACN-propyl-4-(trifluoromethyl)oxepan-4-amine
SMILESCCCNC1(C(F)(F)F)CCCOCC1
InChIInChI=1S/C10H18F3NO/c1-2-6-14-9(10(11,12)13)4-3-7-15-8-5-9/h14H,2-8H2,1H3
InChIKeyNLOYEXQYEYEVMI-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds3

About N-propyl-4-(trifluoromethyl)oxepan-4-amine

N-propyl-4-(trifluoromethyl)oxepan-4-amine (PubChem CID 66206206) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-propyl-4-(trifluoromethyl)oxepan-4-amine.

Molecular Properties

Compound NameN-propyl-4-(trifluoromethyl)oxepan-4-amine
PubChem CID66206206
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-propyl-4-(trifluoromethyl)oxepan-4-amine
SMILESCCCNC1(C(F)(F)F)CCCOCC1
InChIInChI=1S/C10H18F3NO/c1-2-6-14-9(10(11,12)13)4-3-7-15-8-5-9/h14H,2-8H2,1H3
InChIKeyNLOYEXQYEYEVMI-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(trifluoromethyl)oxepan-4-amine?
The IUPAC name of N-propyl-4-(trifluoromethyl)oxepan-4-amine (CID 66206206) is N-propyl-4-(trifluoromethyl)oxepan-4-amine.
What is the SMILES notation for N-propyl-4-(trifluoromethyl)oxepan-4-amine?
The canonical SMILES for N-propyl-4-(trifluoromethyl)oxepan-4-amine is CCCNC1(C(F)(F)F)CCCOCC1.
What is the InChIKey of N-propyl-4-(trifluoromethyl)oxepan-4-amine?
The InChIKey is NLOYEXQYEYEVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-6-14-9(10(11,12)13)4-3-7-15-8-5-9/h14H,2-8H2,1H3.
What are the key properties of N-propyl-4-(trifluoromethyl)oxepan-4-amine?
N-propyl-4-(trifluoromethyl)oxepan-4-amine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(trifluoromethyl)oxepan-4-amine is sourced from PubChem (CID 66206206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).