N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine

C11H21F2NO — CID 103578519

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(NCCOCC(F)F)C1
InChIInChI=1S/C11H21F2NO/c1-8(2)9-5-10(6-9)14-3-4-15-7-11(12)13/h8-11,14H,3-7H2,1-2H3
InChIKeyVTNHVWFUOFSGJA-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.29
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine

N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103578519) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103578519
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(NCCOCC(F)F)C1
InChIInChI=1S/C11H21F2NO/c1-8(2)9-5-10(6-9)14-3-4-15-7-11(12)13/h8-11,14H,3-7H2,1-2H3
InChIKeyVTNHVWFUOFSGJA-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.29
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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Related Compounds

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine hydrochloride
CID 137838564
1,1,1,6,6,6-hexafluoro-N-(1-methoxypropan-2-yl)-3-methylhexan-3-amine
CID 117840547
N-[(4S)-4-fluoro-3-propan-2-ylhexyl]oxetan-3-amine
CID 137537142
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962010
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962115
4-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 55032057
4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pentan-1-amine
CID 55092870
5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine
CID 55092962
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733031
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733194
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733195

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine (CID 103578519) is N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine is CC(C)C1CC(NCCOCC(F)F)C1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is VTNHVWFUOFSGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-8(2)9-5-10(6-9)14-3-4-15-7-11(12)13/h8-11,14H,3-7H2,1-2H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 221.29 g/mol, XLogP of 2.29, 7 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]-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103578519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).