N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine

C9H16F3NO — CID 146534819

IUPACN-propan-2-yl-4-(trifluoromethyl)oxan-4-amine
SMILESCC(C)NC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO/c1-7(2)13-8(9(10,11)12)3-5-14-6-4-8/h7,13H,3-6H2,1-2H3
InChIKeyOCYLXKSAVRTNRX-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds2

About N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine

N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine (PubChem CID 146534819) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(trifluoromethyl)oxan-4-amine
PubChem CID146534819
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-propan-2-yl-4-(trifluoromethyl)oxan-4-amine
SMILESCC(C)NC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO/c1-7(2)13-8(9(10,11)12)3-5-14-6-4-8/h7,13H,3-6H2,1-2H3
InChIKeyOCYLXKSAVRTNRX-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine?
The IUPAC name of N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine (CID 146534819) is N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine is CC(C)NC1(C(F)(F)F)CCOCC1.
What is the InChIKey of N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine?
The InChIKey is OCYLXKSAVRTNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(2)13-8(9(10,11)12)3-5-14-6-4-8/h7,13H,3-6H2,1-2H3.
What are the key properties of N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine?
N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 146534819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).