2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine

C10H18F3NO — CID 66274570

IUPAC2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
SMILESCC(OC1CCCCCC1N)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(10(11,12)13)15-9-6-4-2-3-5-8(9)14/h7-9H,2-6,14H2,1H3
InChIKeySTJRYGVOUVEPLC-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.61
Rot. Bonds2

About 2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine

2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine (PubChem CID 66274570) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
PubChem CID66274570
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
SMILESCC(OC1CCCCCC1N)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(10(11,12)13)15-9-6-4-2-3-5-8(9)14/h7-9H,2-6,14H2,1H3
InChIKeySTJRYGVOUVEPLC-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rac-(1R,2R)-2-ethoxycycloheptan-1-amine
CID 30818327
2-Methoxycycloheptan-1-amine hydrochloride
CID 73994762
2-Methoxycycloheptan-1-amine
CID 16788714
(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)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
3,3,3-Trifluoro-2-octan-2-yloxypropan-1-amine
CID 43752954
3,3,3-Trifluoro-2-heptoxypropan-1-amine
CID 43752955
3,3,3-Trifluoro-2-octoxypropan-1-amine
CID 43752963
2-(2,2,2-Trifluoroethoxy)cyclododecan-1-amine
CID 45281829

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine (CID 66274570) is 2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine is CC(OC1CCCCCC1N)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
The InChIKey is STJRYGVOUVEPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(10(11,12)13)15-9-6-4-2-3-5-8(9)14/h7-9H,2-6,14H2,1H3.
What are the key properties of 2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine is sourced from PubChem (CID 66274570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).