2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine

C11H19F4NO — CID 45283077

IUPAC2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine
SMILESNC1CCCCCCC1OCC(F)(F)C(F)F
InChIInChI=1S/C11H19F4NO/c12-10(13)11(14,15)7-17-9-6-4-2-1-3-5-8(9)16/h8-10H,1-7,16H2
InChIKeyWBLZZJFPDRKSIK-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.95
Rot. Bonds4

About 2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine

2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine (PubChem CID 45283077) has the molecular formula C11H19F4NO and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine
PubChem CID45283077
Molecular FormulaC11H19F4NO
Molecular Weight257.27 g/mol
Exact Mass257.14
IUPAC Name2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine
SMILESNC1CCCCCCC1OCC(F)(F)C(F)F
InChIInChI=1S/C11H19F4NO/c12-10(13)11(14,15)7-17-9-6-4-2-1-3-5-8(9)16/h8-10H,1-7,16H2
InChIKeyWBLZZJFPDRKSIK-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-6-(1-amino-2,2-difluoroethyl)-2-methyloxan-3-amine
CID 137530929
(1R)-1-(4,4-Difluorotetrahydro-2H-pyran-2-yl)propan-1-amine
CID 164536563
1-(4,4-Difluorooxan-2-yl)-2,2,2-trifluoroethanamine
CID 164536665
1-(4,4-Difluorooxan-2-yl)propan-1-amine
CID 167116977
2-(2,2,2-Trifluoroethoxy)cycloheptan-1-amine
CID 16786717
2-(2,2,2-Trifluoroethoxy)cyclooctan-1-amine
CID 16793881
2-(2,2,2-Trifluoroethoxy)cyclododecan-1-amine
CID 45281829
3-(2,2,3,3-Tetrafluoropropoxy)heptan-4-amine
CID 45283059
2-(2,2,3,3-Tetrafluoropropoxy)cycloheptan-1-amine
CID 45283087
4,4,4-Trifluoro-3-octan-2-yloxybutan-2-amine
CID 61647784
1,1,1-Trifluoro-2-octan-2-yloxypentan-3-amine
CID 61647836
4,4,4-Trifluoro-3-heptoxybutan-2-amine
CID 61647837

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine (CID 45283077) is 2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine is NC1CCCCCCC1OCC(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine?
The InChIKey is WBLZZJFPDRKSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO/c12-10(13)11(14,15)7-17-9-6-4-2-1-3-5-8(9)16/h8-10H,1-7,16H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine?
2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine has a molecular weight of 257.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxy)cyclooctan-1-amine is sourced from PubChem (CID 45283077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).