N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C14H25F2NO — CID 103082744

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESFC(F)COCCNC1CCC2CCCCC2C1
InChIInChI=1S/C14H25F2NO/c15-14(16)10-18-8-7-17-13-6-5-11-3-1-2-4-12(11)9-13/h11-14,17H,1-10H2
InChIKeyTUEDCNOORMWQRI-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 103082744) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID103082744
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESFC(F)COCCNC1CCC2CCCCC2C1
InChIInChI=1S/C14H25F2NO/c15-14(16)10-18-8-7-17-13-6-5-11-3-1-2-4-12(11)9-13/h11-14,17H,1-10H2
InChIKeyTUEDCNOORMWQRI-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 103082744) is N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is FC(F)COCCNC1CCC2CCCCC2C1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is TUEDCNOORMWQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c15-14(16)10-18-8-7-17-13-6-5-11-3-1-2-4-12(11)9-13/h11-14,17H,1-10H2.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 261.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 103082744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).